EVOLUTION OF MOLECULAR SYSTEMS AND THE SEPARATION OF ELECTRONIC AND NUCLEAR MOTIONS.
Scientific rept. no. 8
UPPSALA UNIV (SWEDEN)
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A time-dependent approach to the study of molecular systems is used to analyze the interaction between the electronic and nuclear motions. The set of coupled evolution equations for the nuclei, resulting from this treatment, is solved in a first order perturbation approximation to obtain the decoupling of electronic and nuclear motions and to give conditions for its validity. A comparison is made with an adiabatic approximation treatment of the evolution equations and with the Born-Oppenheimer approximation, paying attention to the initial suppositions and to the restrictions in the different cases. Author