Adiabatic energies and radial couplings of the /sup 3/. sigma. /sup +//sub u/ states of H/sub 2/
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6687977
We present a calculation of the potential energy curves of the /sup 3/..sigma../sup +//sub u/ states of the H/sub 2/ molecule in the region R = 1--30 a.u. The features of the correlation diagram are discussed, and a new series of avoided crossings in the region of R<5 a.u. is predicted. We calculate and analyze the radial couplings which are of interest in the study of the excitation process H(1s)+H(1s)..-->..H(2s,2p)+H(1s). Finally, we introduce a simple analytical model which accounts for the 2 /sup 3/..sigma../sup +//sub u/-3 /sup 3/..sigma../sup +//sub u/ interaction.
- Research Organization:
- Departamento de Quimica, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco-28049 Madrid, Spain
- OSTI ID:
- 6687977
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 86:9; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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