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