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Self-consistent-field dynamics of a model non-adiabatic system

โœ Scribed by M. Durga Prasad

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
367 KB
Volume
194
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The dynamics of a two-state three-mode model non-adiabatic system mimicking the S,, S2 surfaces of pyrazine is studied under the time-dependent self-consistent-field (TDSCF) approximation. It is found that the TDSCF provides a good description for short time dynamics and suffices for calculating spectral features but is inadequate at longer times when vibrational dephasing becomes important.

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