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

Authors
SASTRY GM PRASAD MD
Citation
Gm. Sastry et Md. Prasad, THE TIME-DEPENDENT COUPLED-CLUSTER APPROACH TO MOLECULAR PHOTODISSOCIATION DYNAMICS, Chemical physics letters, 228(1-3), 1994, pp. 213-218
Citations number
43
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
228
Issue
1-3
Year of publication
1994
Pages
213 - 218
Database
ISI
SICI code
0009-2614(1994)228:1-3<213:TTCATM>2.0.ZU;2-0
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 hav e been evaluated and the convergence of the method has been tested by evaluating the autocorrelation function at different truncations of th e S-matrix elements. It is found that the TDCCM approach converges to exact results quite quickly.