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Quantal trajectories for adiabatic and nonadiabatic regimes of vibronic systems
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Quantum Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Quantum Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Quantum Chemistry.
1999 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 75, no 4-5, 409-416 p.Article in journal (Refereed) Published
Abstract [en]

Exact and averaged nuclear pseudorotational quantal trajectories are compared for Various adiabatic and vibronic states of the Longuet-Higgins E x epsilon Jahn-Teller model. It is argued that the usual averaging over the electronic motion could be understood as being a consequence of ergodicity. The failure of the Born-Oppenheimer factorization to obey the ergodic hypothesis was examined. A quantitative separation of the electronic and nuclear time-scales is, nevertheless, achieved for all regimes. It is shown that the short-time deviations from the global "drift" of the electronic and nuclear motions are perfectly correlated.

Place, publisher, year, edition, pages
1999. Vol. 75, no 4-5, 409-416 p.
Keyword [en]
Quantal trajectories, de Broglie-Bohm model, adiabatic and vibronic states, Longuet-Higgins model, adiabatic averaging
National Category
Physical Sciences
Research subject
Physics with specialization in Quantum Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-41024DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<409::AID-QUA7>3.0.CO;2-SISI: 000083615800006OAI: oai:DiVA.org:uu-41024DiVA: diva2:68925
Note
Additional address (H. Carlsen): Parallel Systems, Hitechbuilding 51, Stockholm, Sweden. Additional address (E. Sjöqvist): Sub-Faculty of Philosophy, Oxford Univ., UKAvailable from: 2007-02-06 Created: 2007-02-06 Last updated: 2017-12-06

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Sjöqvist, ErikGoscinski, Osvaldo

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