Quasidegenerate perturbation theory within the confguration interaction approach (QDPT CI) has been applied to the calculation of excitation energies and transition moments of CH+ and the results are compared with the full configuration interaction (FCI) values in the same basis set. The importance
β¦ LIBER β¦
A state-selective quasidegenerate perturbation theory for the electronic structure of molecules
β Scribed by Mark R. Hoffmann
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 497 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0009-2614
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