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Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a....
- Source :
-
Journal of Chemical Physics . 5/1/1998, Vol. 108 Issue 17, p7244. 14p. 1 Diagram, 1 Chart, 8 Graphs. - Publication Year :
- 1998
-
Abstract
- Focuses on the validation of full multiple spawning (FMS) molecular dynamics method for two dimensional electronic state Hamiltonian model. Theoretical background of FMS; Description of potential energy surfaces; Analysis of diabetic reaction probabilities.
- Subjects :
- *MOLECULAR dynamics
*HAMILTONIAN graph theory
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 108
- Issue :
- 17
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4137074
- Full Text :
- https://doi.org/10.1063/1.476142