--- _id: '14845' abstract: - lang: eng text: We study a linear rotor in a bosonic bath within the angulon formalism. Our focus is on systems where isotropic or anisotropic impurity-boson interactions support a shallow bound state. To study the fate of the angulon in the vicinity of bound-state formation, we formulate a beyond-linear-coupling angulon Hamiltonian. First, we use it to study attractive, spherically symmetric impurity-boson interactions for which the linear rotor can be mapped onto a static impurity. The well-known polaron formalism provides an adequate description in this limit. Second, we consider anisotropic potentials, and show that the presence of a shallow bound state with pronounced anisotropic character leads to a many-body instability that washes out the angulon dynamics. acknowledgement: "We would like to thank G. Bighin, I. Cherepanov, E. Paerschke, and E. Yakaboylu for insightful discussions on a wide range of topics. This work has been supported by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). A.G. and A.G.V. acknowledge support from the European Union’s Horizon 2020 research and innovation\r\nprogram under the Marie Skłodowska-Curie Grant Agreement No. 754411. Numerical calculations were performed on the Euler cluster managed by the HPC team at ETH Zurich.\r\nR.S. acknowledges support by the Deutsche Forschungsgemeinschaft under Germany’s Excellence Strategy Grant No. EXC 2181/1-390900948 (the Heidelberg STRUCTURES Excellence Cluster). T.D. acknowledges support from the Isaac Newton Studentship and the Science and Technology Facilities Council under Grant No. ST/V50659X/1." article_number: '014102' article_processing_charge: No article_type: original author: - first_name: Tibor full_name: Dome, Tibor id: 7e3293e2-b9dc-11ee-97a9-cd73400f6994 last_name: Dome orcid: 0000-0003-2586-3702 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Laleh full_name: Safari, Laleh id: 3C325E5E-F248-11E8-B48F-1D18A9856A87 last_name: Safari - first_name: Richard full_name: Schmidt, Richard last_name: Schmidt - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: Dome T, Volosniev A, Ghazaryan A, Safari L, Schmidt R, Lemeshko M. Linear rotor in an ideal Bose gas near the threshold for binding. Physical Review B. 2024;109(1). doi:10.1103/PhysRevB.109.014102 apa: Dome, T., Volosniev, A., Ghazaryan, A., Safari, L., Schmidt, R., & Lemeshko, M. (2024). Linear rotor in an ideal Bose gas near the threshold for binding. Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.109.014102 chicago: Dome, Tibor, Artem Volosniev, Areg Ghazaryan, Laleh Safari, Richard Schmidt, and Mikhail Lemeshko. “Linear Rotor in an Ideal Bose Gas near the Threshold for Binding.” Physical Review B. American Physical Society, 2024. https://doi.org/10.1103/PhysRevB.109.014102. ieee: T. Dome, A. Volosniev, A. Ghazaryan, L. Safari, R. Schmidt, and M. Lemeshko, “Linear rotor in an ideal Bose gas near the threshold for binding,” Physical Review B, vol. 109, no. 1. American Physical Society, 2024. ista: Dome T, Volosniev A, Ghazaryan A, Safari L, Schmidt R, Lemeshko M. 2024. Linear rotor in an ideal Bose gas near the threshold for binding. Physical Review B. 109(1), 014102. mla: Dome, Tibor, et al. “Linear Rotor in an Ideal Bose Gas near the Threshold for Binding.” Physical Review B, vol. 109, no. 1, 014102, American Physical Society, 2024, doi:10.1103/PhysRevB.109.014102. short: T. Dome, A. Volosniev, A. Ghazaryan, L. Safari, R. Schmidt, M. Lemeshko, Physical Review B 109 (2024). date_created: 2024-01-21T23:00:57Z date_published: 2024-01-01T00:00:00Z date_updated: 2024-01-23T10:51:09Z day: '01' department: - _id: MiLe doi: 10.1103/PhysRevB.109.014102 ec_funded: 1 intvolume: ' 109' issue: '1' language: - iso: eng month: '01' oa_version: None project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Physical Review B publication_identifier: eissn: - 2469-9969 issn: - 2469-9950 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Linear rotor in an ideal Bose gas near the threshold for binding type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 109 year: '2024' ... --- _id: '14851' abstract: - lang: ger text: Die Quantenrotation ist ein spannendes Phänomen, das in vielen verschiedenen Systemen auftritt, von Molekülen und Atomen bis hin zu subatomaren Teilchen wie Neutronen und Protonen. Durch den Einsatz von starken Laserpulsen ist es möglich, die mathematisch anspruchsvolle Topologie der Rotation von Molekülen aufzudecken und topologisch geschützte Zustände zu erzeugen, die unerwartetes Verhalten zeigen. Diese Entdeckungen könnten Auswirkungen auf die Molekülphysik und physikalische Chemie haben und die Entwicklung neuer Technologien ermöglichen. Die Verbindung von Quantenrotation und Topologie stellt ein aufregendes, interdisziplinäres Forschungsfeld dar und bietet neue Wege zur Kontrolle und Nutzung von quantenmechanischen Phänomenen. article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Volker full_name: Karle, Volker id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425 last_name: Karle orcid: 0000-0002-6963-0129 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: Karle V, Lemeshko M. Die faszinierende Topologie rotierender Quanten. Physik in unserer Zeit. 2024;55(1):28-33. doi:10.1002/piuz.202301690 apa: Karle, V., & Lemeshko, M. (2024). Die faszinierende Topologie rotierender Quanten. Physik in unserer Zeit. Wiley. https://doi.org/10.1002/piuz.202301690 chicago: Karle, Volker, and Mikhail Lemeshko. “Die faszinierende Topologie rotierender Quanten.” Physik in unserer Zeit. Wiley, 2024. https://doi.org/10.1002/piuz.202301690. ieee: V. Karle and M. Lemeshko, “Die faszinierende Topologie rotierender Quanten,” Physik in unserer Zeit, vol. 55, no. 1. Wiley, pp. 28–33, 2024. ista: Karle V, Lemeshko M. 2024. Die faszinierende Topologie rotierender Quanten. Physik in unserer Zeit. 55(1), 28–33. mla: Karle, Volker, and Mikhail Lemeshko. “Die faszinierende Topologie rotierender Quanten.” Physik in unserer Zeit, vol. 55, no. 1, Wiley, 2024, pp. 28–33, doi:10.1002/piuz.202301690. short: V. Karle, M. Lemeshko, Physik in unserer Zeit 55 (2024) 28–33. date_created: 2024-01-22T08:19:36Z date_published: 2024-01-01T00:00:00Z date_updated: 2024-02-15T14:29:04Z day: '01' ddc: - '530' department: - _id: MiLe doi: 10.1002/piuz.202301690 file: - access_level: open_access checksum: 3051dadcf9bc57da97e36b647c596ab1 content_type: application/pdf creator: dernst date_created: 2024-01-23T12:18:07Z date_updated: 2024-01-23T12:18:07Z file_id: '14878' file_name: 2024_PhysikZeit_Karle.pdf file_size: 1155244 relation: main_file success: 1 file_date_updated: 2024-01-23T12:18:07Z has_accepted_license: '1' intvolume: ' 55' issue: '1' keyword: - General Earth and Planetary Sciences - General Environmental Science language: - iso: ger license: https://creativecommons.org/licenses/by/4.0/ month: '01' oa: 1 oa_version: Published Version page: 28-33 publication: Physik in unserer Zeit publication_identifier: eissn: - 1521-3943 issn: - 0031-9252 publication_status: published publisher: Wiley quality_controlled: '1' status: public title: Die faszinierende Topologie rotierender Quanten tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 3E5EF7F0-F248-11E8-B48F-1D18A9856A87 volume: 55 year: '2024' ... --- _id: '15004' abstract: - lang: eng text: The impulsive limit (the “sudden approximation”) has been widely employed to describe the interaction between molecules and short, far-off-resonant laser pulses. This approximation assumes that the timescale of the laser-molecule interaction is significantly shorter than the internal rotational period of the molecule, resulting in the rotational motion being instantaneously “frozen” during the interaction. This simplified description of the laser-molecule interaction is incorporated in various theoretical models predicting rotational dynamics of molecules driven by short laser pulses. In this theoretical work, we develop an effective theory for ultrashort laser pulses by examining the full time-evolution operator and solving the time-dependent Schrödinger equation at the operator level. Our findings reveal a critical angular momentum, lcrit, at which the impulsive limit breaks down. In other words, the validity of the sudden approximation depends not only on the pulse duration but also on its intensity, since the latter determines how many angular momentum states are populated. We explore both ultrashort multicycle (Gaussian) pulses and the somewhat less studied half-cycle pulses, which produce distinct effective potentials. We discuss the limitations of the impulsive limit and propose a method that rescales the effective matrix elements, enabling an improved and more accurate description of laser-molecule interactions. acknowledgement: We thank Bretislav Friedrich, Marjan Mirahmadi, Artem Volosniev, and Burkhard Schmidt for insightful discussions. M.L. acknowledges support by the European Research Council (ERC) under Starting Grant No. 801770 (ANGULON). article_number: '023101' article_processing_charge: No article_type: original author: - first_name: Volker full_name: Karle, Volker id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425 last_name: Karle orcid: 0000-0002-6963-0129 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: 'Karle V, Lemeshko M. Modeling laser pulses as δ kicks: Reevaluating the impulsive limit in molecular rotational dynamics. Physical Review A. 2024;109(2). doi:10.1103/PhysRevA.109.023101' apa: 'Karle, V., & Lemeshko, M. (2024). Modeling laser pulses as δ kicks: Reevaluating the impulsive limit in molecular rotational dynamics. Physical Review A. American Physical Society. https://doi.org/10.1103/PhysRevA.109.023101' chicago: 'Karle, Volker, and Mikhail Lemeshko. “Modeling Laser Pulses as δ Kicks: Reevaluating the Impulsive Limit in Molecular Rotational Dynamics.” Physical Review A. American Physical Society, 2024. https://doi.org/10.1103/PhysRevA.109.023101.' ieee: 'V. Karle and M. Lemeshko, “Modeling laser pulses as δ kicks: Reevaluating the impulsive limit in molecular rotational dynamics,” Physical Review A, vol. 109, no. 2. American Physical Society, 2024.' ista: 'Karle V, Lemeshko M. 2024. Modeling laser pulses as δ kicks: Reevaluating the impulsive limit in molecular rotational dynamics. Physical Review A. 109(2), 023101.' mla: 'Karle, Volker, and Mikhail Lemeshko. “Modeling Laser Pulses as δ Kicks: Reevaluating the Impulsive Limit in Molecular Rotational Dynamics.” Physical Review A, vol. 109, no. 2, 023101, American Physical Society, 2024, doi:10.1103/PhysRevA.109.023101.' short: V. Karle, M. Lemeshko, Physical Review A 109 (2024). date_created: 2024-02-18T23:01:01Z date_published: 2024-02-01T00:00:00Z date_updated: 2024-02-26T09:45:20Z day: '01' department: - _id: MiLe doi: 10.1103/PhysRevA.109.023101 ec_funded: 1 external_id: arxiv: - '2307.07256' intvolume: ' 109' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2307.07256 month: '02' oa: 1 oa_version: Preprint project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review A publication_identifier: eissn: - 2469-9934 issn: - 2469-9926 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Modeling laser pulses as δ kicks: Reevaluating the impulsive limit in molecular rotational dynamics' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 109 year: '2024' ... --- _id: '12534' abstract: - lang: eng text: Brownian motion of a mobile impurity in a bath is affected by spin-orbit coupling (SOC). Here, we discuss a Caldeira-Leggett-type model that can be used to propose and interpret quantum simulators of this problem in cold Bose gases. First, we derive a master equation that describes the model and explore it in a one-dimensional (1D) setting. To validate the standard assumptions needed for our derivation, we analyze available experimental data without SOC; as a byproduct, this analysis suggests that the quench dynamics of the impurity is beyond the 1D Bose-polaron approach at temperatures currently accessible in a cold-atom laboratory—motion of the impurity is mainly driven by dissipation. For systems with SOC, we demonstrate that 1D spin-orbit coupling can be gauged out even in the presence of dissipation—the information about SOC is incorporated in the initial conditions. Observables sensitive to this information (such as spin densities) can be used to study formation of steady spin polarization domains during quench dynamics. acknowledgement: "We thank Rafael Barfknecht for help at the initial stages of this project; Fabian Brauneis for useful discussions; Miguel A. Garcia-March, Georgios Koutentakis, and Simeon Mistakidis\r\nfor comments on the paper. M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON)." article_number: '013029' article_processing_charge: No article_type: original author: - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Alberto full_name: Cappellaro, Alberto id: 9d13b3cb-30a2-11eb-80dc-f772505e8660 last_name: Cappellaro orcid: 0000-0001-6110-2359 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 citation: ama: Ghazaryan A, Cappellaro A, Lemeshko M, Volosniev A. Dissipative dynamics of an impurity with spin-orbit coupling. Physical Review Research. 2023;5(1). doi:10.1103/physrevresearch.5.013029 apa: Ghazaryan, A., Cappellaro, A., Lemeshko, M., & Volosniev, A. (2023). Dissipative dynamics of an impurity with spin-orbit coupling. Physical Review Research. American Physical Society. https://doi.org/10.1103/physrevresearch.5.013029 chicago: Ghazaryan, Areg, Alberto Cappellaro, Mikhail Lemeshko, and Artem Volosniev. “Dissipative Dynamics of an Impurity with Spin-Orbit Coupling.” Physical Review Research. American Physical Society, 2023. https://doi.org/10.1103/physrevresearch.5.013029. ieee: A. Ghazaryan, A. Cappellaro, M. Lemeshko, and A. Volosniev, “Dissipative dynamics of an impurity with spin-orbit coupling,” Physical Review Research, vol. 5, no. 1. American Physical Society, 2023. ista: Ghazaryan A, Cappellaro A, Lemeshko M, Volosniev A. 2023. Dissipative dynamics of an impurity with spin-orbit coupling. Physical Review Research. 5(1), 013029. mla: Ghazaryan, Areg, et al. “Dissipative Dynamics of an Impurity with Spin-Orbit Coupling.” Physical Review Research, vol. 5, no. 1, 013029, American Physical Society, 2023, doi:10.1103/physrevresearch.5.013029. short: A. Ghazaryan, A. Cappellaro, M. Lemeshko, A. Volosniev, Physical Review Research 5 (2023). date_created: 2023-02-10T09:02:26Z date_published: 2023-01-20T00:00:00Z date_updated: 2023-02-20T07:02:00Z day: '20' ddc: - '530' department: - _id: MiLe doi: 10.1103/physrevresearch.5.013029 ec_funded: 1 file: - access_level: open_access checksum: 6068b62874c0099628a108bb9c5c6bd2 content_type: application/pdf creator: dernst date_created: 2023-02-13T10:38:10Z date_updated: 2023-02-13T10:38:10Z file_id: '12546' file_name: 2023_PhysicalReviewResearch_Ghazaryan.pdf file_size: 865150 relation: main_file success: 1 file_date_updated: 2023-02-13T10:38:10Z has_accepted_license: '1' intvolume: ' 5' issue: '1' language: - iso: eng month: '01' oa: 1 oa_version: Published Version project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Dissipative dynamics of an impurity with spin-orbit coupling tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 5 year: '2023' ... --- _id: '13251' abstract: - lang: eng text: A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem, but it is this coupling that is widely conjectured to be responsible for the unique behavior of photocarriers in these materials. In this work, we use the fact that the polarizability of the organic cation strongly depends on the ambient electrostatic environment to put the molecule forward as a sensitive probe of the local crystal fields inside the lattice cell. We measure the average polarizability of the C/N–H bond stretching mode by means of infrared spectroscopy, which allows us to deduce the character of the motion of the cation molecule, find the magnitude of the local crystal field, and place an estimate on the strength of the hydrogen bond between the hydrogen and halide atoms. Our results pave the way for understanding electric fields in lead-halide perovskites using infrared bond spectroscopy. acknowledgement: "We thank Bingqing Cheng and Hong-Zhou Ye for valuable discussions; Y.W.’s work at IST Austria was supported through ISTernship summer internship program funded by OeADGmbH; D.L. and Z.A. acknowledge support by IST Austria (ISTA); M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).\r\nA.A.Z. and O.M.B. acknowledge support by KAUST." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Yujing full_name: Wei, Yujing id: 0c5ff007-2600-11ee-b896-98bd8d663294 last_name: Wei orcid: 0000-0001-8913-9719 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Dusan full_name: Lorenc, Dusan id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87 last_name: Lorenc - first_name: Ayan A. full_name: Zhumekenov, Ayan A. last_name: Zhumekenov - first_name: Osman M. full_name: Bakr, Osman M. last_name: Bakr - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Zhanybek full_name: Alpichshev, Zhanybek id: 45E67A2A-F248-11E8-B48F-1D18A9856A87 last_name: Alpichshev orcid: 0000-0002-7183-5203 citation: ama: Wei Y, Volosniev A, Lorenc D, et al. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 2023;14(27):6309-6314. doi:10.1021/acs.jpclett.3c01158 apa: Wei, Y., Volosniev, A., Lorenc, D., Zhumekenov, A. A., Bakr, O. M., Lemeshko, M., & Alpichshev, Z. (2023). Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. American Chemical Society. https://doi.org/10.1021/acs.jpclett.3c01158 chicago: Wei, Yujing, Artem Volosniev, Dusan Lorenc, Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” The Journal of Physical Chemistry Letters. American Chemical Society, 2023. https://doi.org/10.1021/acs.jpclett.3c01158. ieee: Y. Wei et al., “Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites,” The Journal of Physical Chemistry Letters, vol. 14, no. 27. American Chemical Society, pp. 6309–6314, 2023. ista: Wei Y, Volosniev A, Lorenc D, Zhumekenov AA, Bakr OM, Lemeshko M, Alpichshev Z. 2023. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 14(27), 6309–6314. mla: Wei, Yujing, et al. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” The Journal of Physical Chemistry Letters, vol. 14, no. 27, American Chemical Society, 2023, pp. 6309–14, doi:10.1021/acs.jpclett.3c01158. short: Y. Wei, A. Volosniev, D. Lorenc, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, The Journal of Physical Chemistry Letters 14 (2023) 6309–6314. date_created: 2023-07-18T11:13:17Z date_published: 2023-07-05T00:00:00Z date_updated: 2023-07-19T06:59:19Z day: '05' ddc: - '530' department: - _id: MiLe - _id: ZhAl doi: 10.1021/acs.jpclett.3c01158 ec_funded: 1 external_id: arxiv: - '2304.14198' isi: - '001022811500001' file: - access_level: open_access checksum: c0c040063f06a51b9c463adc504f1a23 content_type: application/pdf creator: dernst date_created: 2023-07-19T06:55:39Z date_updated: 2023-07-19T06:55:39Z file_id: '13253' file_name: 2023_JourPhysChemistry_Wei.pdf file_size: 2121252 relation: main_file success: 1 file_date_updated: 2023-07-19T06:55:39Z has_accepted_license: '1' intvolume: ' 14' isi: 1 issue: '27' keyword: - General Materials Science - Physical and Theoretical Chemistry language: - iso: eng month: '07' oa: 1 oa_version: Published Version page: 6309-6314 project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: The Journal of Physical Chemistry Letters publication_identifier: eissn: - 1948-7185 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 14 year: '2023' ... --- _id: '12723' abstract: - lang: eng text: 'Lead halide perovskites enjoy a number of remarkable optoelectronic properties. To explain their origin, it is necessary to study how electromagnetic fields interact with these systems. We address this problem here by studying two classical quantities: Faraday rotation and the complex refractive index in a paradigmatic perovskite CH3NH3PbBr3 in a broad wavelength range. We find that the minimal coupling of electromagnetic fields to the k⋅p Hamiltonian is insufficient to describe the observed data even on the qualitative level. To amend this, we demonstrate that there exists a relevant atomic-level coupling between electromagnetic fields and the spin degree of freedom. This spin-electric coupling allows for quantitative description of a number of previous as well as present experimental data. In particular, we use it here to show that the Faraday effect in lead halide perovskites is dominated by the Zeeman splitting of the energy levels and has a substantial beyond-Becquerel contribution. Finally, we present general symmetry-based phenomenological arguments that in the low-energy limit our effective model includes all basis coupling terms to the electromagnetic field in the linear order.' article_number: '106901' article_processing_charge: No article_type: original author: - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Abhishek full_name: Shiva Kumar, Abhishek id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a last_name: Shiva Kumar - first_name: Dusan full_name: Lorenc, Dusan id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87 last_name: Lorenc - first_name: Younes full_name: Ashourishokri, Younes id: e32c111f-f6e0-11ea-865d-eb955baea334 last_name: Ashourishokri - first_name: Ayan A. full_name: Zhumekenov, Ayan A. last_name: Zhumekenov - first_name: Osman M. full_name: Bakr, Osman M. last_name: Bakr - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Zhanybek full_name: Alpichshev, Zhanybek id: 45E67A2A-F248-11E8-B48F-1D18A9856A87 last_name: Alpichshev orcid: 0000-0002-7183-5203 citation: ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Spin-electric coupling in lead halide perovskites. Physical Review Letters. 2023;130(10). doi:10.1103/physrevlett.130.106901 apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov, A. A., Bakr, O. M., … Alpichshev, Z. (2023). Spin-electric coupling in lead halide perovskites. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.130.106901 chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri, Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Spin-Electric Coupling in Lead Halide Perovskites.” Physical Review Letters. American Physical Society, 2023. https://doi.org/10.1103/physrevlett.130.106901. ieee: A. Volosniev et al., “Spin-electric coupling in lead halide perovskites,” Physical Review Letters, vol. 130, no. 10. American Physical Society, 2023. ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov AA, Bakr OM, Lemeshko M, Alpichshev Z. 2023. Spin-electric coupling in lead halide perovskites. Physical Review Letters. 130(10), 106901. mla: Volosniev, Artem, et al. “Spin-Electric Coupling in Lead Halide Perovskites.” Physical Review Letters, vol. 130, no. 10, 106901, American Physical Society, 2023, doi:10.1103/physrevlett.130.106901. short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review Letters 130 (2023). date_created: 2023-03-14T13:11:59Z date_published: 2023-03-10T00:00:00Z date_updated: 2023-08-01T13:39:04Z day: '10' department: - _id: GradSch - _id: ZhAl - _id: MiLe doi: 10.1103/physrevlett.130.106901 external_id: arxiv: - '2203.09443' isi: - '000982435900002' intvolume: ' 130' isi: 1 issue: '10' keyword: - General Physics and Astronomy language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2203.09443 month: '03' oa: 1 oa_version: Preprint publication: Physical Review Letters publication_identifier: eissn: - 1079-7114 issn: - 0031-9007 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Spin-electric coupling in lead halide perovskites type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 130 year: '2023' ... --- _id: '12724' abstract: - lang: eng text: 'We use general symmetry-based arguments to construct an effective model suitable for studying optical properties of lead halide perovskites. To build the model, we identify an atomic-level interaction between electromagnetic fields and the spin degree of freedom that should be added to a minimally coupled k⋅p Hamiltonian. As a first application, we study two basic optical characteristics of the material: the Verdet constant and the refractive index. Beyond these linear characteristics of the material, the model is suitable for calculating nonlinear effects such as the third-order optical susceptibility. Analysis of this quantity shows that the geometrical properties of the spin-electric term imply isotropic optical response of the system, and that optical anisotropy of lead halide perovskites is a manifestation of hopping of charge carriers. To illustrate this, we discuss third-harmonic generation.' article_number: '125201' article_processing_charge: No article_type: original author: - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Abhishek full_name: Shiva Kumar, Abhishek id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a last_name: Shiva Kumar - first_name: Dusan full_name: Lorenc, Dusan id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87 last_name: Lorenc - first_name: Younes full_name: Ashourishokri, Younes id: e32c111f-f6e0-11ea-865d-eb955baea334 last_name: Ashourishokri - first_name: Ayan full_name: Zhumekenov, Ayan last_name: Zhumekenov - first_name: Osman M. full_name: Bakr, Osman M. last_name: Bakr - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Zhanybek full_name: Alpichshev, Zhanybek id: 45E67A2A-F248-11E8-B48F-1D18A9856A87 last_name: Alpichshev orcid: 0000-0002-7183-5203 citation: ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Effective model for studying optical properties of lead halide perovskites. Physical Review B. 2023;107(12). doi:10.1103/physrevb.107.125201 apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov, A., Bakr, O. M., … Alpichshev, Z. (2023). Effective model for studying optical properties of lead halide perovskites. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.107.125201 chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri, Ayan Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Effective Model for Studying Optical Properties of Lead Halide Perovskites.” Physical Review B. American Physical Society, 2023. https://doi.org/10.1103/physrevb.107.125201. ieee: A. Volosniev et al., “Effective model for studying optical properties of lead halide perovskites,” Physical Review B, vol. 107, no. 12. American Physical Society, 2023. ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov A, Bakr OM, Lemeshko M, Alpichshev Z. 2023. Effective model for studying optical properties of lead halide perovskites. Physical Review B. 107(12), 125201. mla: Volosniev, Artem, et al. “Effective Model for Studying Optical Properties of Lead Halide Perovskites.” Physical Review B, vol. 107, no. 12, 125201, American Physical Society, 2023, doi:10.1103/physrevb.107.125201. short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review B 107 (2023). date_created: 2023-03-14T13:13:05Z date_published: 2023-03-15T00:00:00Z date_updated: 2023-08-01T13:39:47Z day: '15' department: - _id: GradSch - _id: ZhAl - _id: MiLe doi: 10.1103/physrevb.107.125201 external_id: arxiv: - '2204.04022' isi: - '000972602200006' intvolume: ' 107' isi: 1 issue: '12' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2204.04022 month: '03' oa: 1 oa_version: Preprint publication: Physical Review B publication_identifier: eissn: - 2469-9969 issn: - 2469-9950 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Effective model for studying optical properties of lead halide perovskites type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 107 year: '2023' ... --- _id: '12788' abstract: - lang: eng text: We show that the simplest of existing molecules—closed-shell diatomics not interacting with one another—host topological charges when driven by periodic far-off-resonant laser pulses. A periodically kicked molecular rotor can be mapped onto a “crystalline” lattice in angular momentum space. This allows us to define quasimomenta and the band structure in the Floquet representation, by analogy with the Bloch waves of solid-state physics. Applying laser pulses spaced by 1/3 of the molecular rotational period creates a lattice with three atoms per unit cell with staggered hopping. Within the synthetic dimension of the laser strength, we discover Dirac cones with topological charges. These Dirac cones, topologically protected by reflection and time-reversal symmetry, are reminiscent of (although not equivalent to) that seen in graphene. They—and the corresponding edge states—are broadly tunable by adjusting the laser strength and can be observed in present-day experiments by measuring molecular alignment and populations of rotational levels. This paves the way to study controllable topological physics in gas-phase experiments with small molecules as well as to classify dynamical molecular states by their topological invariants. acknowledgement: M. L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). article_number: '103202' article_processing_charge: No article_type: original author: - first_name: Volker full_name: Karle, Volker id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425 last_name: Karle - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: Karle V, Ghazaryan A, Lemeshko M. Topological charges of periodically kicked molecules. Physical Review Letters. 2023;130(10). doi:10.1103/PhysRevLett.130.103202 apa: Karle, V., Ghazaryan, A., & Lemeshko, M. (2023). Topological charges of periodically kicked molecules. Physical Review Letters. American Physical Society. https://doi.org/10.1103/PhysRevLett.130.103202 chicago: Karle, Volker, Areg Ghazaryan, and Mikhail Lemeshko. “Topological Charges of Periodically Kicked Molecules.” Physical Review Letters. American Physical Society, 2023. https://doi.org/10.1103/PhysRevLett.130.103202. ieee: V. Karle, A. Ghazaryan, and M. Lemeshko, “Topological charges of periodically kicked molecules,” Physical Review Letters, vol. 130, no. 10. American Physical Society, 2023. ista: Karle V, Ghazaryan A, Lemeshko M. 2023. Topological charges of periodically kicked molecules. Physical Review Letters. 130(10), 103202. mla: Karle, Volker, et al. “Topological Charges of Periodically Kicked Molecules.” Physical Review Letters, vol. 130, no. 10, 103202, American Physical Society, 2023, doi:10.1103/PhysRevLett.130.103202. short: V. Karle, A. Ghazaryan, M. Lemeshko, Physical Review Letters 130 (2023). date_created: 2023-04-02T22:01:10Z date_published: 2023-03-10T00:00:00Z date_updated: 2023-08-01T14:02:06Z day: '10' department: - _id: MiLe doi: 10.1103/PhysRevLett.130.103202 ec_funded: 1 external_id: arxiv: - '2206.07067' isi: - '000957635500003' intvolume: ' 130' isi: 1 issue: '10' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2206.07067 month: '03' oa: 1 oa_version: Preprint project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review Letters publication_identifier: eissn: - 1079-7114 issn: - 0031-9007 publication_status: published publisher: American Physical Society quality_controlled: '1' related_material: link: - description: News on the ISTA website relation: press_release url: https://ista.ac.at/en/news/topology-of-rotating-molecules/ scopus_import: '1' status: public title: Topological charges of periodically kicked molecules type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 130 year: '2023' ... --- _id: '12831' abstract: - lang: eng text: The angulon, a quasiparticle formed by a quantum rotor dressed by the excitations of a many-body bath, can be used to describe an impurity rotating in a fluid or solid environment. Here, we propose a coherent state ansatz in the co-rotating frame, which provides a comprehensive theoretical description of angulons. We reveal the quasiparticle properties, such as energies, quasiparticle weights, and spectral functions, and show that our ansatz yields a persistent decrease in the impurity’s rotational constant due to many-body dressing, which is consistent with experimental observations. From our study, a picture of the angulon emerges as an effective spin interacting with a magnetic field that is self-consistently generated by the molecule’s rotation. Moreover, we discuss rotational spectroscopy, which focuses on the response of rotating molecules to a laser perturbation in the linear response regime. Importantly, we take into account initial-state interactions that have been neglected in prior studies and reveal their impact on the excitation spectrum. To examine the angulon instability regime, we use a single-excitation ansatz and obtain results consistent with experiments, in which a broadening of spectral lines is observed while phonon wings remain highly suppressed due to initial-state interactions. acknowledgement: We thank Ignacio Cirac, Christian Schmauder, and Henrik Stapelfeldt for their valuable discussions. We acknowledge support by the Max Planck Society and the Deutsche Forschungsgemeinschaft under Germany’s Excellence Strategy EXC 2181/1—390900948 (the Heidelberg STRUCTURES Excellence Cluster). M.L. acknowledges support from the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). T.S. is supported by the National Key Research and Development Program of China (Grant No. 2017YFA0718304) and the National Natural Science Foundation of China (Grant Nos. 11974363, 12135018, and 12047503). article_number: '134301' article_processing_charge: No article_type: original author: - first_name: Zhongda full_name: Zeng, Zhongda last_name: Zeng - first_name: Enderalp full_name: Yakaboylu, Enderalp id: 38CB71F6-F248-11E8-B48F-1D18A9856A87 last_name: Yakaboylu orcid: 0000-0001-5973-0874 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Tao full_name: Shi, Tao last_name: Shi - first_name: Richard full_name: Schmidt, Richard last_name: Schmidt citation: ama: Zeng Z, Yakaboylu E, Lemeshko M, Shi T, Schmidt R. Variational theory of angulons and their rotational spectroscopy. The Journal of Chemical Physics. 2023;158(13). doi:10.1063/5.0135893 apa: Zeng, Z., Yakaboylu, E., Lemeshko, M., Shi, T., & Schmidt, R. (2023). Variational theory of angulons and their rotational spectroscopy. The Journal of Chemical Physics. American Institute of Physics. https://doi.org/10.1063/5.0135893 chicago: Zeng, Zhongda, Enderalp Yakaboylu, Mikhail Lemeshko, Tao Shi, and Richard Schmidt. “Variational Theory of Angulons and Their Rotational Spectroscopy.” The Journal of Chemical Physics. American Institute of Physics, 2023. https://doi.org/10.1063/5.0135893. ieee: Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, and R. Schmidt, “Variational theory of angulons and their rotational spectroscopy,” The Journal of Chemical Physics, vol. 158, no. 13. American Institute of Physics, 2023. ista: Zeng Z, Yakaboylu E, Lemeshko M, Shi T, Schmidt R. 2023. Variational theory of angulons and their rotational spectroscopy. The Journal of Chemical Physics. 158(13), 134301. mla: Zeng, Zhongda, et al. “Variational Theory of Angulons and Their Rotational Spectroscopy.” The Journal of Chemical Physics, vol. 158, no. 13, 134301, American Institute of Physics, 2023, doi:10.1063/5.0135893. short: Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, R. Schmidt, The Journal of Chemical Physics 158 (2023). date_created: 2023-04-16T22:01:07Z date_published: 2023-04-07T00:00:00Z date_updated: 2023-08-01T14:08:47Z day: '07' ddc: - '530' department: - _id: MiLe doi: 10.1063/5.0135893 ec_funded: 1 external_id: arxiv: - '2211.08070' isi: - '000970038800001' file: - access_level: open_access checksum: 8d801babea4df48e08895c76571bb19e content_type: application/pdf creator: dernst date_created: 2023-04-17T07:28:38Z date_updated: 2023-04-17T07:28:38Z file_id: '12841' file_name: 2023_JourChemicalPhysics_Zeng.pdf file_size: 7388057 relation: main_file success: 1 file_date_updated: 2023-04-17T07:28:38Z has_accepted_license: '1' intvolume: ' 158' isi: 1 issue: '13' language: - iso: eng month: '04' oa: 1 oa_version: Published Version project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: The Journal of Chemical Physics publication_identifier: eissn: - 1089-7690 publication_status: published publisher: American Institute of Physics quality_controlled: '1' scopus_import: '1' status: public title: Variational theory of angulons and their rotational spectroscopy tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 158 year: '2023' ... --- _id: '13233' abstract: - lang: eng text: We study the impact of finite-range physics on the zero-range-model analysis of three-body recombination in ultracold atoms. We find that temperature dependence of the zero-range parameters can vary from one set of measurements to another as it may be driven by the distribution of error bars in the experiment, and not by the underlying three-body physics. To study finite-temperature effects in three-body recombination beyond the zero-range physics, we introduce and examine a finite-range model based upon a hyperspherical formalism. The systematic error discussed in this Letter may provide a significant contribution to the error bars of measured three-body parameters. acknowledgement: We thank Jan Arlt, Hans-Werner Hammer, and Karsten Riisager for useful discussions. M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). article_number: L061304 article_processing_charge: No article_type: letter_note author: - first_name: Sofya full_name: Agafonova, Sofya id: 09501ff6-dca7-11ea-a8ae-b3e0b9166e80 last_name: Agafonova - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 citation: ama: Agafonova S, Lemeshko M, Volosniev A. Finite-range bias in fitting three-body loss to the zero-range model. Physical Review A. 2023;107(6). doi:10.1103/PhysRevA.107.L061304 apa: Agafonova, S., Lemeshko, M., & Volosniev, A. (2023). Finite-range bias in fitting three-body loss to the zero-range model. Physical Review A. American Physical Society. https://doi.org/10.1103/PhysRevA.107.L061304 chicago: Agafonova, Sofya, Mikhail Lemeshko, and Artem Volosniev. “Finite-Range Bias in Fitting Three-Body Loss to the Zero-Range Model.” Physical Review A. American Physical Society, 2023. https://doi.org/10.1103/PhysRevA.107.L061304. ieee: S. Agafonova, M. Lemeshko, and A. Volosniev, “Finite-range bias in fitting three-body loss to the zero-range model,” Physical Review A, vol. 107, no. 6. American Physical Society, 2023. ista: Agafonova S, Lemeshko M, Volosniev A. 2023. Finite-range bias in fitting three-body loss to the zero-range model. Physical Review A. 107(6), L061304. mla: Agafonova, Sofya, et al. “Finite-Range Bias in Fitting Three-Body Loss to the Zero-Range Model.” Physical Review A, vol. 107, no. 6, L061304, American Physical Society, 2023, doi:10.1103/PhysRevA.107.L061304. short: S. Agafonova, M. Lemeshko, A. Volosniev, Physical Review A 107 (2023). date_created: 2023-07-16T22:01:10Z date_published: 2023-06-20T00:00:00Z date_updated: 2023-08-02T06:31:52Z day: '20' department: - _id: MiLe - _id: OnHo doi: 10.1103/PhysRevA.107.L061304 ec_funded: 1 external_id: arxiv: - '2302.01022' isi: - '001019748000005' intvolume: ' 107' isi: 1 issue: '6' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2302.01022 month: '06' oa: 1 oa_version: Preprint project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review A publication_identifier: eissn: - 2469-9934 issn: - 2469-9926 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Finite-range bias in fitting three-body loss to the zero-range model type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 107 year: '2023' ... --- _id: '13966' abstract: - lang: eng text: We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample the Møller-Plesset (MPn) perturbation series, obtaining accurate correlation energies up to n=5, with quadratic scaling in the number of basis functions. Our technique reduces the computational complexity of the molecular many-fermion correlation problem, opening up the possibility of low-scaling, accurate stochastic computations for a wide class of many-body systems described by Hugenholtz diagrams. acknowledgement: We acknowledge stimulating discussions with Sergey Varganov, Artur Izmaylov, Jacek Kłos, Piotr Żuchowski, Dominika Zgid, Nikolay Prokof'ev, Boris Svistunov, Robert Parrish, and Andreas Heßelmann. G.B. and Q.P.H. acknowledge support from the Austrian Science Fund (FWF) under Projects No. M2641-N27 and No. M2751. M.L. acknowledges support by the FWF under Project No. P29902-N27, and by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). T.V.T. was supported by the NSF CAREER award No. PHY-2045681. This work is supported by the German Research Foundation (DFG) under Germany's Excellence Strategy EXC2181/1-390900948 (the Heidelberg STRUCTURES Excellence Cluster). The authors acknowledge support by the state of Baden-Württemberg through bwHPC. article_number: '045115' article_processing_charge: No article_type: original author: - first_name: Giacomo full_name: Bighin, Giacomo id: 4CA96FD4-F248-11E8-B48F-1D18A9856A87 last_name: Bighin orcid: 0000-0001-8823-9777 - first_name: Quoc P full_name: Ho, Quoc P id: 3DD82E3C-F248-11E8-B48F-1D18A9856A87 last_name: Ho - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: T. V. full_name: Tscherbul, T. V. last_name: Tscherbul citation: ama: 'Bighin G, Ho QP, Lemeshko M, Tscherbul TV. Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling. Physical Review B. 2023;108(4). doi:10.1103/PhysRevB.108.045115' apa: 'Bighin, G., Ho, Q. P., Lemeshko, M., & Tscherbul, T. V. (2023). Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling. Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.108.045115' chicago: 'Bighin, Giacomo, Quoc P Ho, Mikhail Lemeshko, and T. V. Tscherbul. “Diagrammatic Monte Carlo for Electronic Correlation in Molecules: High-Order Many-Body Perturbation Theory with Low Scaling.” Physical Review B. American Physical Society, 2023. https://doi.org/10.1103/PhysRevB.108.045115.' ieee: 'G. Bighin, Q. P. Ho, M. Lemeshko, and T. V. Tscherbul, “Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling,” Physical Review B, vol. 108, no. 4. American Physical Society, 2023.' ista: 'Bighin G, Ho QP, Lemeshko M, Tscherbul TV. 2023. Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling. Physical Review B. 108(4), 045115.' mla: 'Bighin, Giacomo, et al. “Diagrammatic Monte Carlo for Electronic Correlation in Molecules: High-Order Many-Body Perturbation Theory with Low Scaling.” Physical Review B, vol. 108, no. 4, 045115, American Physical Society, 2023, doi:10.1103/PhysRevB.108.045115.' short: G. Bighin, Q.P. Ho, M. Lemeshko, T.V. Tscherbul, Physical Review B 108 (2023). date_created: 2023-08-06T22:01:10Z date_published: 2023-07-15T00:00:00Z date_updated: 2023-08-07T08:41:29Z day: '15' department: - _id: MiLe - _id: TaHa doi: 10.1103/PhysRevB.108.045115 ec_funded: 1 external_id: arxiv: - '2203.12666' intvolume: ' 108' issue: '4' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2203.12666 month: '07' oa: 1 oa_version: Preprint project: - _id: 26986C82-B435-11E9-9278-68D0E5697425 call_identifier: FWF grant_number: M02641 name: A path-integral approach to composite impurities - _id: 26B96266-B435-11E9-9278-68D0E5697425 call_identifier: FWF grant_number: M02751 name: Algebro-Geometric Applications of Factorization Homology - _id: 26031614-B435-11E9-9278-68D0E5697425 call_identifier: FWF grant_number: P29902 name: Quantum rotations in the presence of a many-body environment - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review B publication_identifier: eissn: - 2469-9969 issn: - 2469-9950 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 108 year: '2023' ... --- _id: '14321' abstract: - lang: eng text: We demonstrate the possibility of a coupling between the magnetization direction of a ferromagnet and the tilting angle of adsorbed achiral molecules. To illustrate the mechanism of the coupling, we analyze a minimal Stoner model that includes Rashba spin–orbit coupling due to the electric field on the surface of the ferromagnet. The proposed mechanism allows us to study magnetic anisotropy of the system with an extended Stoner–Wohlfarth model and argue that adsorbed achiral molecules can change magnetocrystalline anisotropy of the substrate. Our research aims to motivate further experimental studies of the current-free chirality induced spin selectivity effect involving both enantiomers. acknowledgement: "We thank Zhanybek Alpichshev, Mohammad Reza Safari, Binghai Yan, and Yossi Paltiel for enlightening discussions.\r\nM.L. acknowledges support from the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). A. C. received funding from the European Union’s Horizon Europe research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 101062862 - NeqMolRot." article_number: '104103' article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Ragheed full_name: Al Hyder, Ragheed id: d1c405be-ae15-11ed-8510-ccf53278162e last_name: Al Hyder - first_name: Alberto full_name: Cappellaro, Alberto id: 9d13b3cb-30a2-11eb-80dc-f772505e8660 last_name: Cappellaro orcid: 0000-0001-6110-2359 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 citation: ama: Al Hyder R, Cappellaro A, Lemeshko M, Volosniev A. Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. 2023;159(10). doi:10.1063/5.0165806 apa: Al Hyder, R., Cappellaro, A., Lemeshko, M., & Volosniev, A. (2023). Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0165806 chicago: Al Hyder, Ragheed, Alberto Cappellaro, Mikhail Lemeshko, and Artem Volosniev. “Achiral Dipoles on a Ferromagnet Can Affect Its Magnetization Direction.” The Journal of Chemical Physics. AIP Publishing, 2023. https://doi.org/10.1063/5.0165806. ieee: R. Al Hyder, A. Cappellaro, M. Lemeshko, and A. Volosniev, “Achiral dipoles on a ferromagnet can affect its magnetization direction,” The Journal of Chemical Physics, vol. 159, no. 10. AIP Publishing, 2023. ista: Al Hyder R, Cappellaro A, Lemeshko M, Volosniev A. 2023. Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. 159(10), 104103. mla: Al Hyder, Ragheed, et al. “Achiral Dipoles on a Ferromagnet Can Affect Its Magnetization Direction.” The Journal of Chemical Physics, vol. 159, no. 10, 104103, AIP Publishing, 2023, doi:10.1063/5.0165806. short: R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023). date_created: 2023-09-13T09:25:09Z date_published: 2023-09-11T00:00:00Z date_updated: 2023-09-20T09:48:12Z day: '11' ddc: - '530' department: - _id: MiLe doi: 10.1063/5.0165806 ec_funded: 1 external_id: arxiv: - '2306.17592' pmid: - '37694742' file: - access_level: open_access checksum: 507ab65ab29e2c987c94cabad7c5370b content_type: application/pdf creator: acappell date_created: 2023-09-13T09:34:20Z date_updated: 2023-09-13T09:34:20Z file_id: '14322' file_name: 104103_1_5.0165806.pdf file_size: 5749653 relation: main_file success: 1 file_date_updated: 2023-09-13T09:34:20Z has_accepted_license: '1' intvolume: ' 159' issue: '10' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng month: '09' oa: 1 oa_version: Published Version pmid: 1 project: - _id: bd7b5202-d553-11ed-ba76-9b1c1b258338 grant_number: '101062862' name: Non-equilibrium Field Theory of Molecular Rotations - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: The Journal of Chemical Physics publication_identifier: eissn: - 1089-7690 issn: - 0021-9606 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Achiral dipoles on a ferromagnet can affect its magnetization direction tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 159 year: '2023' ... --- _id: '14037' abstract: - lang: eng text: 'Traditionally, nuclear spin is not considered to affect biological processes. Recently, this has changed as isotopic fractionation that deviates from classical mass dependence was reported both in vitro and in vivo. In these cases, the isotopic effect correlates with the nuclear magnetic spin. Here, we show nuclear spin effects using stable oxygen isotopes (16O, 17O, and 18O) in two separate setups: an artificial dioxygen production system and biological aquaporin channels in cells. We observe that oxygen dynamics in chiral environments (in particular its transport) depend on nuclear spin, suggesting future applications for controlled isotope separation to be used, for instance, in NMR. To demonstrate the mechanism behind our findings, we formulate theoretical models based on a nuclear-spin-enhanced switch between electronic spin states. Accounting for the role of nuclear spin in biology can provide insights into the role of quantum effects in living systems and help inspire the development of future biotechnology solutions.' acknowledgement: N.M.-S. acknowledges the support of the Ministry of Energy, Israel, as part of the scholarship program for graduate students in the fields of energy. M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). Y.P. acknowledges the support of the Ministry of Innovation, Science and Technology, Israel Grant No. 1001593872. Y.P acknowledges the support of the BSF-NSF 094 Grant No. 2022503. article_number: e2300828120 article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Ofek full_name: Vardi, Ofek last_name: Vardi - first_name: Naama full_name: Maroudas-Sklare, Naama last_name: Maroudas-Sklare - first_name: Yuval full_name: Kolodny, Yuval last_name: Kolodny - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Amijai full_name: Saragovi, Amijai last_name: Saragovi - first_name: Nir full_name: Galili, Nir last_name: Galili - first_name: Stav full_name: Ferrera, Stav last_name: Ferrera - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Nir full_name: Yuran, Nir last_name: Yuran - first_name: Hagit P. full_name: Affek, Hagit P. last_name: Affek - first_name: Boaz full_name: Luz, Boaz last_name: Luz - first_name: Yonaton full_name: Goldsmith, Yonaton last_name: Goldsmith - first_name: Nir full_name: Keren, Nir last_name: Keren - first_name: Shira full_name: Yochelis, Shira last_name: Yochelis - first_name: Itay full_name: Halevy, Itay last_name: Halevy - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Yossi full_name: Paltiel, Yossi last_name: Paltiel citation: ama: Vardi O, Maroudas-Sklare N, Kolodny Y, et al. Nuclear spin effects in biological processes. Proceedings of the National Academy of Sciences of the United States of America. 2023;120(32). doi:10.1073/pnas.2300828120 apa: Vardi, O., Maroudas-Sklare, N., Kolodny, Y., Volosniev, A., Saragovi, A., Galili, N., … Paltiel, Y. (2023). Nuclear spin effects in biological processes. Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences. https://doi.org/10.1073/pnas.2300828120 chicago: Vardi, Ofek, Naama Maroudas-Sklare, Yuval Kolodny, Artem Volosniev, Amijai Saragovi, Nir Galili, Stav Ferrera, et al. “Nuclear Spin Effects in Biological Processes.” Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences, 2023. https://doi.org/10.1073/pnas.2300828120. ieee: O. Vardi et al., “Nuclear spin effects in biological processes,” Proceedings of the National Academy of Sciences of the United States of America, vol. 120, no. 32. National Academy of Sciences, 2023. ista: Vardi O, Maroudas-Sklare N, Kolodny Y, Volosniev A, Saragovi A, Galili N, Ferrera S, Ghazaryan A, Yuran N, Affek HP, Luz B, Goldsmith Y, Keren N, Yochelis S, Halevy I, Lemeshko M, Paltiel Y. 2023. Nuclear spin effects in biological processes. Proceedings of the National Academy of Sciences of the United States of America. 120(32), e2300828120. mla: Vardi, Ofek, et al. “Nuclear Spin Effects in Biological Processes.” Proceedings of the National Academy of Sciences of the United States of America, vol. 120, no. 32, e2300828120, National Academy of Sciences, 2023, doi:10.1073/pnas.2300828120. short: O. Vardi, N. Maroudas-Sklare, Y. Kolodny, A. Volosniev, A. Saragovi, N. Galili, S. Ferrera, A. Ghazaryan, N. Yuran, H.P. Affek, B. Luz, Y. Goldsmith, N. Keren, S. Yochelis, I. Halevy, M. Lemeshko, Y. Paltiel, Proceedings of the National Academy of Sciences of the United States of America 120 (2023). date_created: 2023-08-13T22:01:12Z date_published: 2023-07-31T00:00:00Z date_updated: 2023-10-17T11:45:25Z day: '31' ddc: - '530' department: - _id: MiLe doi: 10.1073/pnas.2300828120 ec_funded: 1 external_id: pmid: - '37523549' file: - access_level: open_access checksum: a5ed64788a5acef9b9a300a26fa5a177 content_type: application/pdf creator: dernst date_created: 2023-08-14T07:43:45Z date_updated: 2023-08-14T07:43:45Z file_id: '14047' file_name: 2023_PNAS_Vardi.pdf file_size: 1003092 relation: main_file success: 1 file_date_updated: 2023-08-14T07:43:45Z has_accepted_license: '1' intvolume: ' 120' issue: '32' language: - iso: eng license: https://creativecommons.org/licenses/by-nc-nd/4.0/ month: '07' oa: 1 oa_version: Published Version pmid: 1 project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Proceedings of the National Academy of Sciences of the United States of America publication_identifier: eissn: - 1091-6490 publication_status: published publisher: National Academy of Sciences quality_controlled: '1' scopus_import: '1' status: public title: Nuclear spin effects in biological processes tmp: image: /images/cc_by_nc_nd.png legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) short: CC BY-NC-ND (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 120 year: '2023' ... --- _id: '14486' abstract: - lang: eng text: We present a minimal model of ferroelectric large polarons, which are suggested as one of the mechanisms responsible for the unique charge transport properties of hybrid perovskites. We demonstrate that short-ranged charge–rotor interactions lead to long-range ferroelectric ordering of rotors, which strongly affects the carrier mobility. In the nonperturbative regime, where our theory cannot be reduced to any of the earlier models, we reveal that the polaron is characterized by large coherence length and a roughly tenfold increase of the effective mass as compared to the bare mass. These results are in good agreement with other theoretical predictions for ferroelectric polarons. Our model establishes a general phenomenological framework for ferroelectric polarons providing the starting point for future studies of their role in the transport properties of hybrid organic-inorganic perovskites. acknowledgement: We thank Zh. Alpichshev, A. Volosniev, and A. V. Zampetaki for fruitful discussions and comments. This project received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 101034413. M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). article_number: '043016' article_processing_charge: Yes article_type: original author: - first_name: Georgios full_name: Koutentakis, Georgios id: d7b23d3a-9e21-11ec-b482-f76739596b95 last_name: Koutentakis - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: Koutentakis G, Ghazaryan A, Lemeshko M. Rotor lattice model of ferroelectric large polarons. Physical Review Research. 2023;5(4). doi:10.1103/PhysRevResearch.5.043016 apa: Koutentakis, G., Ghazaryan, A., & Lemeshko, M. (2023). Rotor lattice model of ferroelectric large polarons. Physical Review Research. American Physical Society. https://doi.org/10.1103/PhysRevResearch.5.043016 chicago: Koutentakis, Georgios, Areg Ghazaryan, and Mikhail Lemeshko. “Rotor Lattice Model of Ferroelectric Large Polarons.” Physical Review Research. American Physical Society, 2023. https://doi.org/10.1103/PhysRevResearch.5.043016. ieee: G. Koutentakis, A. Ghazaryan, and M. Lemeshko, “Rotor lattice model of ferroelectric large polarons,” Physical Review Research, vol. 5, no. 4. American Physical Society, 2023. ista: Koutentakis G, Ghazaryan A, Lemeshko M. 2023. Rotor lattice model of ferroelectric large polarons. Physical Review Research. 5(4), 043016. mla: Koutentakis, Georgios, et al. “Rotor Lattice Model of Ferroelectric Large Polarons.” Physical Review Research, vol. 5, no. 4, 043016, American Physical Society, 2023, doi:10.1103/PhysRevResearch.5.043016. short: G. Koutentakis, A. Ghazaryan, M. Lemeshko, Physical Review Research 5 (2023). date_created: 2023-11-05T23:00:53Z date_published: 2023-10-05T00:00:00Z date_updated: 2023-11-07T07:53:39Z day: '05' ddc: - '530' department: - _id: MiLe doi: 10.1103/PhysRevResearch.5.043016 ec_funded: 1 external_id: arxiv: - '2301.09875' file: - access_level: open_access checksum: cb8de8fed6e09df1a18bd5a5aec5c55c content_type: application/pdf creator: dernst date_created: 2023-11-07T07:52:46Z date_updated: 2023-11-07T07:52:46Z file_id: '14493' file_name: 2023_PhysReviewResearch_Koutentakis.pdf file_size: 1127522 relation: main_file success: 1 file_date_updated: 2023-11-07T07:52:46Z has_accepted_license: '1' intvolume: ' 5' issue: '4' language: - iso: eng month: '10' oa: 1 oa_version: Published Version project: - _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c call_identifier: H2020 grant_number: '101034413' name: 'IST-BRIDGE: International postdoctoral program' - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Rotor lattice model of ferroelectric large polarons tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 5 year: '2023' ... --- _id: '14238' abstract: - lang: eng text: We demonstrate that a sodium dimer, Na2(13Σ+u), residing on the surface of a helium nanodroplet, can be set into rotation by a nonresonant 1.0 ps infrared laser pulse. The time-dependent degree of alignment measured, exhibits a periodic, gradually decreasing structure that deviates qualitatively from that expected for gas-phase dimers. Comparison to alignment dynamics calculated from the time-dependent rotational Schrödinger equation shows that the deviation is due to the alignment dependent interaction between the dimer and the droplet surface. This interaction confines the dimer to the tangential plane of the droplet surface at the point where it resides and is the reason that the observed alignment dynamics is also well described by a 2D quantum rotor model. acknowledgement: H. S. acknowledges support from The Villum Foundation through a Villum Investigator Grant No. 25886. M. L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). F. J. and R. E. Z. acknowledge support from the Centre for Scientific Computing, Aarhus and the JKU scientific computing administration, Linz, respectively. article_number: '053201' article_processing_charge: No article_type: original author: - first_name: Lorenz full_name: Kranabetter, Lorenz last_name: Kranabetter - first_name: Henrik H. full_name: Kristensen, Henrik H. last_name: Kristensen - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Constant A. full_name: Schouder, Constant A. last_name: Schouder - first_name: Adam S. full_name: Chatterley, Adam S. last_name: Chatterley - first_name: Paul full_name: Janssen, Paul last_name: Janssen - first_name: Frank full_name: Jensen, Frank last_name: Jensen - first_name: Robert E. full_name: Zillich, Robert E. last_name: Zillich - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Henrik full_name: Stapelfeldt, Henrik last_name: Stapelfeldt citation: ama: Kranabetter L, Kristensen HH, Ghazaryan A, et al. Nonadiabatic laser-induced alignment dynamics of molecules on a surface. Physical Review Letters. 2023;131(5). doi:10.1103/PhysRevLett.131.053201 apa: Kranabetter, L., Kristensen, H. H., Ghazaryan, A., Schouder, C. A., Chatterley, A. S., Janssen, P., … Stapelfeldt, H. (2023). Nonadiabatic laser-induced alignment dynamics of molecules on a surface. Physical Review Letters. American Physical Society. https://doi.org/10.1103/PhysRevLett.131.053201 chicago: Kranabetter, Lorenz, Henrik H. Kristensen, Areg Ghazaryan, Constant A. Schouder, Adam S. Chatterley, Paul Janssen, Frank Jensen, Robert E. Zillich, Mikhail Lemeshko, and Henrik Stapelfeldt. “Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface.” Physical Review Letters. American Physical Society, 2023. https://doi.org/10.1103/PhysRevLett.131.053201. ieee: L. Kranabetter et al., “Nonadiabatic laser-induced alignment dynamics of molecules on a surface,” Physical Review Letters, vol. 131, no. 5. American Physical Society, 2023. ista: Kranabetter L, Kristensen HH, Ghazaryan A, Schouder CA, Chatterley AS, Janssen P, Jensen F, Zillich RE, Lemeshko M, Stapelfeldt H. 2023. Nonadiabatic laser-induced alignment dynamics of molecules on a surface. Physical Review Letters. 131(5), 053201. mla: Kranabetter, Lorenz, et al. “Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface.” Physical Review Letters, vol. 131, no. 5, 053201, American Physical Society, 2023, doi:10.1103/PhysRevLett.131.053201. short: L. Kranabetter, H.H. Kristensen, A. Ghazaryan, C.A. Schouder, A.S. Chatterley, P. Janssen, F. Jensen, R.E. Zillich, M. Lemeshko, H. Stapelfeldt, Physical Review Letters 131 (2023). date_created: 2023-08-27T22:01:16Z date_published: 2023-08-04T00:00:00Z date_updated: 2023-12-13T12:18:54Z day: '04' department: - _id: MiLe doi: 10.1103/PhysRevLett.131.053201 ec_funded: 1 external_id: arxiv: - '2308.15247' isi: - '001101784100001' pmid: - '37595218' intvolume: ' 131' isi: 1 issue: '5' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2308.15247 month: '08' oa: 1 oa_version: Preprint pmid: 1 project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: Physical Review Letters publication_identifier: eissn: - 1079-7114 issn: - 0031-9007 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Nonadiabatic laser-induced alignment dynamics of molecules on a surface type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 131 year: '2023' ... --- _id: '10845' abstract: - lang: eng text: We study an impurity with a resonance level whose position coincides with the Fermi energy of the surrounding Fermi gas. An impurity causes a rapid variation of the scattering phase shift for fermions at the Fermi surface, introducing a new characteristic length scale into the problem. We investigate manifestations of this length scale in the self-energy of the impurity and in the density of the bath. Our calculations reveal a model-independent deformation of the density of the Fermi gas, which is determined by the width of the resonance. To provide a broader picture, we investigate time evolution of the density in quench dynamics, and study the behavior of the system at finite temperatures. Finally, we briefly discuss implications of our findings for the Fermi-polaron problem. acknowledgement: M.L. acknowledges support by the Austrian Science Fund (FWF), under Project No. P29902-N27, and by the European Research Council (ERC) starting Grant No. 801770 (ANGULON). A.G.V. acknowledges support by European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 754411. article_number: '013160' article_processing_charge: No article_type: original author: - first_name: Mikhail full_name: Maslov, Mikhail id: 2E65BB0E-F248-11E8-B48F-1D18A9856A87 last_name: Maslov orcid: 0000-0003-4074-2570 - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 citation: ama: Maslov M, Lemeshko M, Volosniev A. Impurity with a resonance in the vicinity of the Fermi energy. Physical Review Research. 2022;4. doi:10.1103/PhysRevResearch.4.013160 apa: Maslov, M., Lemeshko, M., & Volosniev, A. (2022). Impurity with a resonance in the vicinity of the Fermi energy. Physical Review Research. American Physical Society. https://doi.org/10.1103/PhysRevResearch.4.013160 chicago: Maslov, Mikhail, Mikhail Lemeshko, and Artem Volosniev. “Impurity with a Resonance in the Vicinity of the Fermi Energy.” Physical Review Research. American Physical Society, 2022. https://doi.org/10.1103/PhysRevResearch.4.013160. ieee: M. Maslov, M. Lemeshko, and A. Volosniev, “Impurity with a resonance in the vicinity of the Fermi energy,” Physical Review Research, vol. 4. American Physical Society, 2022. ista: Maslov M, Lemeshko M, Volosniev A. 2022. Impurity with a resonance in the vicinity of the Fermi energy. Physical Review Research. 4, 013160. mla: Maslov, Mikhail, et al. “Impurity with a Resonance in the Vicinity of the Fermi Energy.” Physical Review Research, vol. 4, 013160, American Physical Society, 2022, doi:10.1103/PhysRevResearch.4.013160. short: M. Maslov, M. Lemeshko, A. Volosniev, Physical Review Research 4 (2022). date_created: 2022-03-13T23:01:46Z date_published: 2022-03-01T00:00:00Z date_updated: 2022-03-14T08:42:24Z day: '01' ddc: - '530' department: - _id: MiLe doi: 10.1103/PhysRevResearch.4.013160 ec_funded: 1 external_id: arxiv: - '2111.13570' file: - access_level: open_access checksum: 62f64b3421a969656ebf52467fa7b6e8 content_type: application/pdf creator: dernst date_created: 2022-03-14T08:38:49Z date_updated: 2022-03-14T08:38:49Z file_id: '10848' file_name: 2022_PhysicalReviewResearch_Maslov.pdf file_size: 1258324 relation: main_file success: 1 file_date_updated: 2022-03-14T08:38:49Z has_accepted_license: '1' intvolume: ' 4' language: - iso: eng month: '03' oa: 1 oa_version: Published Version project: - _id: 26031614-B435-11E9-9278-68D0E5697425 call_identifier: FWF grant_number: P29902 name: Quantum rotations in the presence of a many-body environment - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Physical Review Research publication_identifier: issn: - 2643-1564 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Impurity with a resonance in the vicinity of the Fermi energy tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 4 year: '2022' ... --- _id: '10771' abstract: - lang: eng text: A critical overview of the theory of the chirality-induced spin selectivity (CISS) effect, that is, phenomena in which the chirality of molecular species imparts significant spin selectivity to various electron processes, is provided. Based on discussions in a recently held workshop, and further work published since, the status of CISS effects—in electron transmission, electron transport, and chemical reactions—is reviewed. For each, a detailed discussion of the state-of-the-art in theoretical understanding is provided and remaining challenges and research opportunities are identified. article_number: '2106629' article_processing_charge: No article_type: review author: - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers - first_name: Amnon full_name: Aharony, Amnon last_name: Aharony - first_name: Nir full_name: Bar-Gill, Nir last_name: Bar-Gill - first_name: Ora full_name: Entin-Wohlman, Ora last_name: Entin-Wohlman - first_name: Per full_name: Hedegård, Per last_name: Hedegård - first_name: Oded full_name: Hod, Oded last_name: Hod - first_name: Pavel full_name: Jelinek, Pavel last_name: Jelinek - first_name: Grzegorz full_name: Kamieniarz, Grzegorz last_name: Kamieniarz - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Karen full_name: Michaeli, Karen last_name: Michaeli - first_name: Vladimiro full_name: Mujica, Vladimiro last_name: Mujica - first_name: Ron full_name: Naaman, Ron last_name: Naaman - first_name: Yossi full_name: Paltiel, Yossi last_name: Paltiel - first_name: Sivan full_name: Refaely-Abramson, Sivan last_name: Refaely-Abramson - first_name: Oren full_name: Tal, Oren last_name: Tal - first_name: Jos full_name: Thijssen, Jos last_name: Thijssen - first_name: Michael full_name: Thoss, Michael last_name: Thoss - first_name: Jan M. full_name: Van Ruitenbeek, Jan M. last_name: Van Ruitenbeek - first_name: Latha full_name: Venkataraman, Latha last_name: Venkataraman - first_name: David H. full_name: Waldeck, David H. last_name: Waldeck - first_name: Binghai full_name: Yan, Binghai last_name: Yan - first_name: Leeor full_name: Kronik, Leeor last_name: Kronik citation: ama: 'Evers F, Aharony A, Bar-Gill N, et al. Theory of chirality induced spin selectivity: Progress and challenges. Advanced Materials. 2022;34(13). doi:10.1002/adma.202106629' apa: 'Evers, F., Aharony, A., Bar-Gill, N., Entin-Wohlman, O., Hedegård, P., Hod, O., … Kronik, L. (2022). Theory of chirality induced spin selectivity: Progress and challenges. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202106629' chicago: 'Evers, Ferdinand, Amnon Aharony, Nir Bar-Gill, Ora Entin-Wohlman, Per Hedegård, Oded Hod, Pavel Jelinek, et al. “Theory of Chirality Induced Spin Selectivity: Progress and Challenges.” Advanced Materials. Wiley, 2022. https://doi.org/10.1002/adma.202106629.' ieee: 'F. Evers et al., “Theory of chirality induced spin selectivity: Progress and challenges,” Advanced Materials, vol. 34, no. 13. Wiley, 2022.' ista: 'Evers F, Aharony A, Bar-Gill N, Entin-Wohlman O, Hedegård P, Hod O, Jelinek P, Kamieniarz G, Lemeshko M, Michaeli K, Mujica V, Naaman R, Paltiel Y, Refaely-Abramson S, Tal O, Thijssen J, Thoss M, Van Ruitenbeek JM, Venkataraman L, Waldeck DH, Yan B, Kronik L. 2022. Theory of chirality induced spin selectivity: Progress and challenges. Advanced Materials. 34(13), 2106629.' mla: 'Evers, Ferdinand, et al. “Theory of Chirality Induced Spin Selectivity: Progress and Challenges.” Advanced Materials, vol. 34, no. 13, 2106629, Wiley, 2022, doi:10.1002/adma.202106629.' short: F. Evers, A. Aharony, N. Bar-Gill, O. Entin-Wohlman, P. Hedegård, O. Hod, P. Jelinek, G. Kamieniarz, M. Lemeshko, K. Michaeli, V. Mujica, R. Naaman, Y. Paltiel, S. Refaely-Abramson, O. Tal, J. Thijssen, M. Thoss, J.M. Van Ruitenbeek, L. Venkataraman, D.H. Waldeck, B. Yan, L. Kronik, Advanced Materials 34 (2022). date_created: 2022-02-20T23:01:33Z date_published: 2022-04-01T00:00:00Z date_updated: 2023-08-02T14:30:22Z day: '01' department: - _id: MiLe doi: 10.1002/adma.202106629 external_id: arxiv: - '2108.09998' isi: - '000753795900001' intvolume: ' 34' isi: 1 issue: '13' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2108.09998 month: '04' oa: 1 oa_version: Preprint publication: Advanced Materials publication_identifier: eissn: - '15214095' issn: - '09359648' publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: 'Theory of chirality induced spin selectivity: Progress and challenges' type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 34 year: '2022' ... --- _id: '11552' abstract: - lang: eng text: Rotational dynamics of D2 molecules inside helium nanodroplets is induced by a moderately intense femtosecond pump pulse and measured as a function of time by recording the yield of HeD+ ions, created through strong-field dissociative ionization with a delayed femtosecond probe pulse. The yield oscillates with a period of 185 fs, reflecting field-free rotational wave packet dynamics, and the oscillation persists for more than 500 periods. Within the experimental uncertainty, the rotational constant BHe of the in-droplet D2 molecule, determined by Fourier analysis, is the same as Bgas for an isolated D2 molecule. Our observations show that the D2 molecules inside helium nanodroplets essentially rotate as free D2 molecules. article_number: '243201' article_processing_charge: No author: - first_name: Junjie full_name: Qiang, Junjie last_name: Qiang - first_name: Lianrong full_name: Zhou, Lianrong last_name: Zhou - first_name: Peifen full_name: Lu, Peifen last_name: Lu - first_name: Kang full_name: Lin, Kang last_name: Lin - first_name: Yongzhe full_name: Ma, Yongzhe last_name: Ma - first_name: Shengzhe full_name: Pan, Shengzhe last_name: Pan - first_name: Chenxu full_name: Lu, Chenxu last_name: Lu - first_name: Wenyu full_name: Jiang, Wenyu last_name: Jiang - first_name: Fenghao full_name: Sun, Fenghao last_name: Sun - first_name: Wenbin full_name: Zhang, Wenbin last_name: Zhang - first_name: Hui full_name: Li, Hui last_name: Li - first_name: Xiaochun full_name: Gong, Xiaochun last_name: Gong - first_name: Ilya Sh full_name: Averbukh, Ilya Sh last_name: Averbukh - first_name: Yehiam full_name: Prior, Yehiam last_name: Prior - first_name: Constant A. full_name: Schouder, Constant A. last_name: Schouder - first_name: Henrik full_name: Stapelfeldt, Henrik last_name: Stapelfeldt - first_name: Igor full_name: Cherepanov, Igor id: 339C7E5A-F248-11E8-B48F-1D18A9856A87 last_name: Cherepanov - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Wolfgang full_name: Jäger, Wolfgang last_name: Jäger - first_name: Jian full_name: Wu, Jian last_name: Wu citation: ama: Qiang J, Zhou L, Lu P, et al. Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets. Physical Review Letters. 2022;128(24). doi:10.1103/PhysRevLett.128.243201 apa: Qiang, J., Zhou, L., Lu, P., Lin, K., Ma, Y., Pan, S., … Wu, J. (2022). Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets. Physical Review Letters. American Physical Society. https://doi.org/10.1103/PhysRevLett.128.243201 chicago: Qiang, Junjie, Lianrong Zhou, Peifen Lu, Kang Lin, Yongzhe Ma, Shengzhe Pan, Chenxu Lu, et al. “Femtosecond Rotational Dynamics of D2 Molecules in Superfluid Helium Nanodroplets.” Physical Review Letters. American Physical Society, 2022. https://doi.org/10.1103/PhysRevLett.128.243201. ieee: J. Qiang et al., “Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets,” Physical Review Letters, vol. 128, no. 24. American Physical Society, 2022. ista: Qiang J, Zhou L, Lu P, Lin K, Ma Y, Pan S, Lu C, Jiang W, Sun F, Zhang W, Li H, Gong X, Averbukh IS, Prior Y, Schouder CA, Stapelfeldt H, Cherepanov I, Lemeshko M, Jäger W, Wu J. 2022. Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets. Physical Review Letters. 128(24), 243201. mla: Qiang, Junjie, et al. “Femtosecond Rotational Dynamics of D2 Molecules in Superfluid Helium Nanodroplets.” Physical Review Letters, vol. 128, no. 24, 243201, American Physical Society, 2022, doi:10.1103/PhysRevLett.128.243201. short: J. Qiang, L. Zhou, P. Lu, K. Lin, Y. Ma, S. Pan, C. Lu, W. Jiang, F. Sun, W. Zhang, H. Li, X. Gong, I.S. Averbukh, Y. Prior, C.A. Schouder, H. Stapelfeldt, I. Cherepanov, M. Lemeshko, W. Jäger, J. Wu, Physical Review Letters 128 (2022). date_created: 2022-07-10T22:01:52Z date_published: 2022-06-16T00:00:00Z date_updated: 2023-08-03T11:54:14Z day: '16' department: - _id: MiLe doi: 10.1103/PhysRevLett.128.243201 ec_funded: 1 external_id: arxiv: - '2201.09281' isi: - '000820659700002' intvolume: ' 128' isi: 1 issue: '24' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2201.09281 month: '06' oa: 1 oa_version: Submitted Version project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program publication: Physical Review Letters publication_identifier: eissn: - '10797114' issn: - '00319007' publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 128 year: '2022' ... --- _id: '11590' abstract: - lang: eng text: 'We investigate the ground-state properties of weakly repulsive one-dimensional bosons in the presence of an attractive zero-range impurity potential. First, we derive mean-field solutions to the problem on a finite ring for the two asymptotic cases: (i) all bosons are bound to the impurity and (ii) all bosons are in a scattering state. Moreover, we derive the critical line that separates these regimes in the parameter space. In the thermodynamic limit, this critical line determines the maximum number of bosons that can be bound by the impurity potential, forming an artificial atom. Second, we validate the mean-field results using the flow equation approach and the multi-layer multi-configuration time-dependent Hartree method for atomic mixtures. While beyond-mean-field effects destroy long-range order in the Bose gas, the critical boson number is unaffected. Our findings are important for understanding such artificial atoms in low-density Bose gases with static and mobile impurities.' acknowledgement: This work has received funding from the DFG Project No. 413495248 [VO 2437/1-1] (FB, H-WH, AGV) and European Union's Horizon 2020 research and innovation programme under the Marie Skĺodowska-Curie Grant Agreement No. 754411 (AGV). ML acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). SIM acknowledges support from the NSF through a grant for ITAMP at Harvard University. article_number: '063036' article_processing_charge: No article_type: original author: - first_name: Fabian full_name: Brauneis, Fabian last_name: Brauneis - first_name: Timothy G. full_name: Backert, Timothy G. last_name: Backert - first_name: Simeon I. full_name: Mistakidis, Simeon I. last_name: Mistakidis - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Hans Werner full_name: Hammer, Hans Werner last_name: Hammer - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 citation: ama: Brauneis F, Backert TG, Mistakidis SI, Lemeshko M, Hammer HW, Volosniev A. Artificial atoms from cold bosons in one dimension. New Journal of Physics. 2022;24(6). doi:10.1088/1367-2630/ac78d8 apa: Brauneis, F., Backert, T. G., Mistakidis, S. I., Lemeshko, M., Hammer, H. W., & Volosniev, A. (2022). Artificial atoms from cold bosons in one dimension. New Journal of Physics. IOP Publishing. https://doi.org/10.1088/1367-2630/ac78d8 chicago: Brauneis, Fabian, Timothy G. Backert, Simeon I. Mistakidis, Mikhail Lemeshko, Hans Werner Hammer, and Artem Volosniev. “Artificial Atoms from Cold Bosons in One Dimension.” New Journal of Physics. IOP Publishing, 2022. https://doi.org/10.1088/1367-2630/ac78d8. ieee: F. Brauneis, T. G. Backert, S. I. Mistakidis, M. Lemeshko, H. W. Hammer, and A. Volosniev, “Artificial atoms from cold bosons in one dimension,” New Journal of Physics, vol. 24, no. 6. IOP Publishing, 2022. ista: Brauneis F, Backert TG, Mistakidis SI, Lemeshko M, Hammer HW, Volosniev A. 2022. Artificial atoms from cold bosons in one dimension. New Journal of Physics. 24(6), 063036. mla: Brauneis, Fabian, et al. “Artificial Atoms from Cold Bosons in One Dimension.” New Journal of Physics, vol. 24, no. 6, 063036, IOP Publishing, 2022, doi:10.1088/1367-2630/ac78d8. short: F. Brauneis, T.G. Backert, S.I. Mistakidis, M. Lemeshko, H.W. Hammer, A. Volosniev, New Journal of Physics 24 (2022). date_created: 2022-07-17T22:01:55Z date_published: 2022-06-01T00:00:00Z date_updated: 2023-08-03T11:57:41Z day: '01' ddc: - '530' department: - _id: MiLe doi: 10.1088/1367-2630/ac78d8 ec_funded: 1 external_id: isi: - '000818530000001' file: - access_level: open_access checksum: dc67b60f2e50e9ef2bd820ca0d7333d2 content_type: application/pdf creator: dernst date_created: 2022-07-18T06:33:13Z date_updated: 2022-07-18T06:33:13Z file_id: '11594' file_name: 2022_NewJournalPhysics_Brauneis.pdf file_size: 3415721 relation: main_file success: 1 file_date_updated: 2022-07-18T06:33:13Z has_accepted_license: '1' intvolume: ' 24' isi: 1 issue: '6' language: - iso: eng month: '06' oa: 1 oa_version: Published Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: New Journal of Physics publication_identifier: issn: - 1367-2630 publication_status: published publisher: IOP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Artificial atoms from cold bosons in one dimension tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 24 year: '2022' ... --- _id: '11998' abstract: - lang: eng text: Recently it became possible to study highly excited rotational states of molecules in superfluid helium through nonadiabatic alignment experiments (Cherepanov et al 2021 Phys. Rev. A 104 L061303). This calls for theoretical approaches that go beyond explaining renormalized values of molecular spectroscopic constants, which suffices when only the lowest few rotational states are involved. As the first step in this direction, here we present a basic quantum mechanical model describing highly excited rotational states of molecules in superfluid helium nanodroplets. We show that a linear molecule immersed in a superfluid can be seen as an effective symmetric top, similar to the rotational structure of radicals, such as OH or NO, but with the angular momentum of the superfluid playing the role of the electronic angular momentum in free molecules. The simple theory sheds light onto what happens when the rotational angular momentum of the molecule increases beyond the lowest excited states accessible by infrared spectroscopy. In addition, the model allows to estimate the effective rotational and centrifugal distortion constants for a broad range of species and to explain the crossover between light and heavy molecules in superfluid 4He in terms of the many-body wavefunction structure. Some of the above mentioned insights can be acquired by analyzing a simple 2 × 2 matrix. acknowledgement: IC acknowledges the support by the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. GB acknowledges support from the Austrian Science Fund (FWF), under Project No. M2461-N27 and from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy EXC2181/1-390900948 (the Heidelberg STRUCTURES Excellence Cluster). ML acknowledges support by the Austrian Science Fund (FWF), under Project No. P29902-N27, and by the European Research Council (ERC) starting Grant No. 801770 (ANGULON). HS acknowledges support from the Independent Research Fund Denmark (Project No. 8021-00232B) and from the Villum Fonden through a Villum Investigator Grant No. 25886. article_number: '075004' article_processing_charge: Yes article_type: original author: - first_name: Igor full_name: Cherepanov, Igor id: 339C7E5A-F248-11E8-B48F-1D18A9856A87 last_name: Cherepanov - first_name: Giacomo full_name: Bighin, Giacomo id: 4CA96FD4-F248-11E8-B48F-1D18A9856A87 last_name: Bighin orcid: 0000-0001-8823-9777 - first_name: Constant A. full_name: Schouder, Constant A. last_name: Schouder - first_name: Adam S. full_name: Chatterley, Adam S. last_name: Chatterley - first_name: Henrik full_name: Stapelfeldt, Henrik last_name: Stapelfeldt - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 citation: ama: Cherepanov I, Bighin G, Schouder CA, Chatterley AS, Stapelfeldt H, Lemeshko M. A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics. 2022;24(7). doi:10.1088/1367-2630/ac8113 apa: Cherepanov, I., Bighin, G., Schouder, C. A., Chatterley, A. S., Stapelfeldt, H., & Lemeshko, M. (2022). A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics. IOP. https://doi.org/10.1088/1367-2630/ac8113 chicago: Cherepanov, Igor, Giacomo Bighin, Constant A. Schouder, Adam S. Chatterley, Henrik Stapelfeldt, and Mikhail Lemeshko. “A Simple Model for High Rotational Excitations of Molecules in a Superfluid.” New Journal of Physics. IOP, 2022. https://doi.org/10.1088/1367-2630/ac8113. ieee: I. Cherepanov, G. Bighin, C. A. Schouder, A. S. Chatterley, H. Stapelfeldt, and M. Lemeshko, “A simple model for high rotational excitations of molecules in a superfluid,” New Journal of Physics, vol. 24, no. 7. IOP, 2022. ista: Cherepanov I, Bighin G, Schouder CA, Chatterley AS, Stapelfeldt H, Lemeshko M. 2022. A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics. 24(7), 075004. mla: Cherepanov, Igor, et al. “A Simple Model for High Rotational Excitations of Molecules in a Superfluid.” New Journal of Physics, vol. 24, no. 7, 075004, IOP, 2022, doi:10.1088/1367-2630/ac8113. short: I. Cherepanov, G. Bighin, C.A. Schouder, A.S. Chatterley, H. Stapelfeldt, M. Lemeshko, New Journal of Physics 24 (2022). date_created: 2022-08-28T22:02:01Z date_published: 2022-08-11T00:00:00Z date_updated: 2023-08-03T13:19:06Z day: '11' ddc: - '530' department: - _id: MiLe doi: 10.1088/1367-2630/ac8113 ec_funded: 1 external_id: isi: - '000839216900001' file: - access_level: open_access checksum: 10116a08d3489befc13dba2cc44490f1 content_type: application/pdf creator: alisjak date_created: 2022-08-29T09:57:40Z date_updated: 2022-08-29T09:57:40Z file_id: '12005' file_name: 2022_NewJournalofPhysics_Cherepanov.pdf file_size: 1912882 relation: main_file success: 1 file_date_updated: 2022-08-29T09:57:40Z has_accepted_license: '1' intvolume: ' 24' isi: 1 issue: '7' language: - iso: eng month: '08' oa: 1 oa_version: Published Version project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' - _id: 26986C82-B435-11E9-9278-68D0E5697425 call_identifier: FWF grant_number: M02641 name: A path-integral approach to composite impurities publication: New Journal of Physics publication_identifier: issn: - 1367-2630 publication_status: published publisher: IOP quality_controlled: '1' scopus_import: '1' status: public title: A simple model for high rotational excitations of molecules in a superfluid tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 24 year: '2022' ...