Many-body perturbation theory and coupled-cluster calculations for the energy and dipole moment of Hz0 are performed using different techniques to reduce the virtual space. The optimized virtual orbital space (OVOS) method is compared with frozen natural orbitals (FNO), defined from a relaxed densit
โฆ LIBER โฆ
Effective dipole-moment operator for nonrigid H2X-type molecules. Application to H2O
โ Scribed by V.I. Starikov; S.N. Mikhailenko
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 752 KB
- Volume
- 271
- Category
- Article
- ISSN
- 0022-2860
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