A comparison of exact quantum mechanical and various semiclassical treatments for the vibronic absorption spectrum: The case of fast vibrational relaxation

Eran Rabani, S. A. Egorov, B. J. Berne

Research output: Contribution to journalReview articlepeer-review

Abstract

We have extended our study of the vibronic absorption spectrum in condensed matter [S. A. Egorov, E. Rabani, and B. J. Berne, J. Chem. Phys. 108, 1407 (1998)] to the case when the electronic dephasing rate is slow compared to the vibrational relaxation rate in both electronic states. We find that under such circumstances, unlike the case of fast electronic dephasing, treating all nuclear degrees of freedom classically provides better agreement with the exact quantum treatment than the mixed quantum-classical approximation. These results are consistent with the conclusions reached by Bader and Berne in their study of mixed quantum-classical treatments of vibrational relaxation processes.

Original languageEnglish
Pages (from-to)6376-6381
Number of pages6
JournalJournal of Chemical Physics
Volume109
Issue number15
DOIs
StatePublished - 1998
Externally publishedYes

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