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 |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 79365 |
| Deposited On: | 25 Jan 2012 12:03 |
| Last Modified: | 25 Jan 2012 12:03 |
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