Published November 1999
| Version v1
Journal article
Quantal trajectories for adiabatic and nonadiabatic regimes of vibronic systems
Description
Exact and averaged nuclear pseudo-rotational quantal trajectories are compared for various adiabatic and vibronic states of the Longuet-Higgins E direct product ε 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
Additional details
Publishing Information
- Journal Title
- International Journal of Quantum Chemistry
- Journal Volume
- 75
- Journal Issue
- 4-5
- Journal Page Range
- p. 409-416
- ISSN
- 0020-7608
- CODEN
- IJQCB2
Conference
- Title
- International Symposium on Atomic, Molecular, and Condensed Matter Theory
- Dates
- 27 Feb - 5 Mar 1999
- Place
- St. Augustine, FL (United States)
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 31014121
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOMIC MODELS; BORN-OPPENHEIMER APPROXIMATION; ENERGY LEVELS; JAHN-TELLER EFFECT; MOLECULES; QUANTUM MECHANICS; TRAJECTORIES
- Descriptors DEC
- MATHEMATICAL MODELS; MECHANICS