Approximate Calculations of Ionization Potential in Electronic Cluster Models
β Scribed by A. V. Luzanov
- Book ID
- 111594549
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2003
- Tongue
- English
- Weight
- 73 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0022-4766
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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