Correlated prolate--spheroidal wave functions for the excited states /sup 1,3/. sigma. /sub g//sup +/(1sg-italic, 2sg-italic) of H/sub 2/ and He/sub 2//sup 2 +/
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6249789
The total energy of the excited states /sup 1,3/..sigma../sub g//sup +/(1sg, 2sg) H/sub 2/ and He/sub 2//sup 2 +/ has been calculated for several values of the internuclear distance from a one-parameter correlated prolate--spheroidal wave function. Such diabatic results are seen to be in fairly good agreement with the best adiabatic ones outside the avoided-crossing regions.
- Research Organization:
- Laboratoire d'Astrophysique Fondamentale, Observatoire de Meudon, F 92190 Meudon, France
- OSTI ID:
- 6249789
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 75:6; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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· J. Chem. Phys.; (United States)
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Related Subjects
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGED PARTICLES
CORRELATIONS
ELECTRON CORRELATION
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
FUNCTIONS
GASES
HELIUM
HYDROGEN
IONS
MOLECULAR IONS
NONMETALS
RARE GASES
WAVE FUNCTIONS
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGED PARTICLES
CORRELATIONS
ELECTRON CORRELATION
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
FUNCTIONS
GASES
HELIUM
HYDROGEN
IONS
MOLECULAR IONS
NONMETALS
RARE GASES
WAVE FUNCTIONS