Quantal trajectories for adiabatic and nonadiabatic regimes of vibronic systems
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
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.
Quantal trajectories, de Broglie-Bohm model, adiabatic and vibronic states, Longuet-Higgins model, adiabatic averaging
Research subject Physics with specialization in Quantum Chemistry
IdentifiersURN: 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
Additional address (H. Carlsen): Parallel Systems, Hitechbuilding 51, Stockholm, Sweden. Additional address (E. Sjöqvist): Sub-Faculty of Philosophy, Oxford Univ., UK2007-02-062007-02-062011-09-19