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On the peculiarities of the diabatic framework: New insight.
- Source :
-
Journal of Chemical Physics . 2/8/2004, Vol. 120 Issue 6, p2565-2574. 10p. 4 Diagrams, 4 Graphs. - Publication Year :
- 2004
-
Abstract
- In this article we consider the electronic diabatic presentation of a two-state system with the aim of earning insight regarding the distribution of conical intersections in a given region. In this process we revealed explicit relationship between the diabatic potentials and the locations of conical intersections. The study is accompanied with numerical examples as worked out for a model and ab initio potential energy surfaces of the Na+H[sub 2] system. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Subjects :
- *CHEMICAL reactions
*ELECTRONICS
*CHEMISTRY
*PHYSICS
*PHYSICAL sciences
*SCIENCE
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 120
- Issue :
- 6
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 12202228
- Full Text :
- https://doi.org/10.1063/1.1635352