Published September 15, 1981
| Version v1
Journal article
Correlated prolate--spheroidal wave functions for the excited states /sup 1,3/Σ/sub g/+(1sg-italic, 2sg-italic) of H2 and He22+
Creators
- 1. Laboratoire d'Astrophysique Fondamentale, Observatoire de Meudon, F 92190 Meudon, France
Description
The total energy of the excited states /sup 1,3/Σ/sub g/+(1sg, 2sg) H2 and He22+ 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
Additional details
Publishing Information
- Journal Title
- J. Chem. Phys.
- Journal Volume
- 75
- Journal Issue
- 6
- Series
- J. Chem. Phys.
- Journal Page Range
- 2932-2934
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 13646040
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ELECTRON CORRELATION; ELECTRONIC STRUCTURE; EXCITED STATES; HELIUM; HYDROGEN; MOLECULAR IONS; WAVE FUNCTIONS
- Descriptors DEC
- CHARGED PARTICLES; CORRELATIONS; ELEMENTS; ENERGY LEVELS; FUNCTIONS; IONS; NONMETALS; RARE GASES