THE TIME-DEPENDENT COUPLED-CLUSTER APPROACH TO MOLECULAR PHOTODISSOCIATION DYNAMICS

被引：0
|
作者：
SASTRY, GM
PRASAD, MD
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1994年 / 228卷 / 1-3期
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中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页码：213 / 218
页数：6
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