Back to Search Start Over

The Hermite correction method for nondiabatic transitions.

Authors :
Adhikari, Satrajit
Billing, Gert D.
Source :
Journal of Chemical Physics. 7/1/1999, Vol. 111 Issue 1, p48. 6p. 1 Chart, 6 Graphs.
Publication Year :
1999

Abstract

Demonstrates the Hermite correction method for nonadiabatic transitions. Use of molecular dynamics simulations on a system where electronic transitions are allowed anywhere in configuration space among any number of coupled states; Use of a classical path theory based on the Hermite correction to the Gaussian wave packet expansion; Initialization, propagation, and projection of the wave function.

Details

Language :
English
ISSN :
00219606
Volume :
111
Issue :
1
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4222470
Full Text :
https://doi.org/10.1063/1.479252