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

Durga Prasad, M. (1992) Self-consistent-field dynamics of a model non-adiabatic system Chemical Physics Letters, 194 (1-2). pp. 27-31. ISSN 0009-2614

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0009-2614(92)85737-U

Abstract

The dynamics of a two-state three-mode model non-adiabatic system mimicking the S1, 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.

Item Type:Article
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ID Code:79365
Deposited On:25 Jan 2012 12:03
Last Modified:25 Jan 2012 12:03

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