dc.date.accessioned | 2024-03-22T18:13:17Z | |
dc.date.available | 2024-03-22T18:13:17Z | |
dc.date.created | 2023-04-19T18:45:35Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Tellgren, Erik Ingemar Culpitt, Tanner Phillip Peters, Laurens Helgaker, Trygve . Molecular vibrations in the presence of velocity-dependent forces. Journal of Chemical Physics. 2023, 158(12), 124124 | |
dc.identifier.uri | http://hdl.handle.net/10852/110003 | |
dc.description.abstract | A semiclassical theory of small oscillations is developed for nuclei that are subject to velocity-dependent forces in addition to the usual interatomic forces. When the velocity-dependent forces are due to a strong magnetic field, novel effects arise—for example, the coupling of vibrational, rotational, and translational modes. The theory is first developed using Newtonian mechanics and we provide a simple quantification of the coupling between these types of modes. We also discuss the mathematical structure of the problem, which turns out to be a quadratic eigenvalue problem rather than a standard eigenvalue problem. The theory is then re-derived using the Hamiltonian formalism, which brings additional insight, including a close analogy to the quantum-mechanical treatment of the problem. Finally, we provide numerical examples for the H2, HT, and HCN molecules in a strong magnetic field. | |
dc.language | EN | |
dc.title | Molecular vibrations in the presence of velocity-dependent forces | |
dc.title.alternative | ENEngelskEnglishMolecular vibrations in the presence of velocity-dependent forces | |
dc.type | Journal article | |
dc.creator.author | Tellgren, Erik Ingemar | |
dc.creator.author | Culpitt, Tanner Phillip | |
dc.creator.author | Peters, Laurens | |
dc.creator.author | Helgaker, Trygve | |
cristin.unitcode | 185,15,12,70 | |
cristin.unitname | Hylleraas-senteret | |
cristin.ispublished | true | |
cristin.fulltext | postprint | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 2141946 | |
dc.identifier.bibliographiccitation | info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal of Chemical Physics&rft.volume=158&rft.spage=124124&rft.date=2023 | |
dc.identifier.jtitle | Journal of Chemical Physics | |
dc.identifier.volume | 158 | |
dc.identifier.issue | 12 | |
dc.identifier.startpage | 124124 | |
dc.identifier.doi | https://doi.org/10.1063/5.0139684 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 0021-9606 | |
dc.type.version | AcceptedVersion | |
dc.relation.project | NFR/262695 | |
dc.relation.project | NFR/287950 | |