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Ab initio effective valence shell hamiltonian calculation of the valence state potential curves of CH and CH+

✍ Scribed by Hosung Sun; Karl F. Freed

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 770 KB
Volume: 78
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85252-9

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✦ Synopsis

The third-order ab initio effective valence shell hamiltonran of quasi-degenerate many-body perturbation theory is calculated for the vaience state potential curves of CH and CH" simultaneously. The results are in accord with experiment and configuration interaction calculations, and they have applicatxons to experunents on the D ?IT state of CA and B 'A of CH+.

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