The time-dependent coupled cluster approach to molecular photodissociation dynamics

Madhavi Sastry, G. ; Durga Prasad, M. (1994) The time-dependent coupled cluster approach to molecular photodissociation dynamics Chemical Physics Letters, 228 (1-3). pp. 213-218. 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(94)00934-1

Abstract

The time-dependent coupled cluster method (TDCCM) has been applied to the photodissociation dynamics of linear triatomics using the Beswick-Jortner model. The autocorrelation function and absorption spectra have been evaluated and the convergence of the method has been tested by evaluating the autocorrelation function at different truncations of the S-matrix elements. It is found that the TDCCM approach converges to exact results quite quickly.

Item Type:Article
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ID Code:79368
Deposited On:25 Jan 2012 12:04
Last Modified:25 Jan 2012 12:04

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