The coupled-cluster method in an open-shell version with non-Hen&an model interaction is applied for direct calculation of vertical ionization potentials of closed-shell molecular systems. The theory is illustrated by calculation of vertical ionization potentials of the water molecule. The calculate
Calculation of vertical ionization potentials by configuration interaction
β Scribed by Delano P. Chong; Stephen R. Langhoff
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 478 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
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