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The Hermite correction method for nondiabatic transitions.
- 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