Quantal trajectories for adiabatic and nonadiabatic regimes of vibronic systems

• 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.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Quantal trajectories

de Broglie-Bohm model

adiabatic and vibronic states

Longuet-Higgins model

adiabatic averaging

Quantum chemistry

Kvantkemi

Fysik med inriktning mot kvantkemi

Physics with specialization in Quantum Chemistry

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