Time-dependent coupled cluster approach to multimode vibronic dynamics

Sree Latha, G. ; Durga Prasad, M. (1996) Time-dependent coupled cluster approach to multimode vibronic dynamics Journal of Chemical Physics, 105 (8). pp. 2972-2977. ISSN 0021-9606

Full text not available from this repository.

Official URL: http://jcp.aip.org/resource/1/jcpsa6/v105/i8/p2972...

Related URL: http://dx.doi.org/10.1063/1.472170


The time-dependent coupled cluster method is used to calculate the dynamics on coupled surfaces. The time-dependent self-consistent-field solution of the initial doorway state is used as the reference state. Autocorrelation functions and spectra of two model systems are presented. It is found that the spurious recurrences in the self-consistent-field autocorrelation functions are eliminated in the coupled cluster approach and the spectral features are correctly reproduced at T=T1+T2 level of approximation.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Two-level Systems; Vibronic States; Autocorrelations; Cluster Model; Time Dependence; Self-consistent Field; Electron Correlation; Wave Functions
ID Code:79351
Deposited On:25 Jan 2012 13:13
Last Modified:25 Jan 2012 13:13

Repository Staff Only: item control page