A GAUSSIAN WAVE-PACKET PROPAGATION STUDY OF NONADIABATIC DYNAMICS

Authors
SASTRY GM PRASAD MD
Citation
Gm. Sastry et Md. Prasad, A GAUSSIAN WAVE-PACKET PROPAGATION STUDY OF NONADIABATIC DYNAMICS, Proceedings of the Indian Academy of Sciences. Chemical sciences, 106(2), 1994, pp. 569-577
Citations number
30
Categorie Soggetti
Chemistry
Journal title
Proceedings of the Indian Academy of Sciences. Chemical sciences → ACNP
ISSN journal
02534134
Volume
106
Issue
2
Year of publication
1994
Pages
569 - 577
Database
ISI
SICI code
0253-4134(1994)106:2<569:AGWPSO>2.0.ZU;2-9
Abstract
The Gaussian wave-packet propagation (GWP) approach in the coherent st ate algebraic formalism has been applied to calculate the dynamics of a few model single-mode systems and a model two-mode system. To circum vent the problems arising in defining the initial conditions and the p otential surface for such systems in this formalism, we have, construc ted a new Hamiltonian which is derived by mapping the original Hamilto nian on to a single electronic surface. Good agreement with exact resu lts have been obtained.