The ionization potentials and electron affinities are calculated by the use of the many-body Rayleigh-SchrBdinger perturbation theory. This approach is elaborated up to the third order, where each perturbation contribution can be interpreted by the diagrammatic method. Some simple illustrative calcu
Calculation of vertical ionization potentials of H2O and Ne by many-body Rayleigh-Schrödinger perturbation theory
✍ Scribed by Ivan Hubač; Miroslav Urban
- Publisher
- Springer
- Year
- 1977
- Tongue
- English
- Weight
- 583 KB
- Volume
- 45
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
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The vertical ionization potentials for CH4 and Hz0 are computed using the quasidegencratc many body perturbation method of Brandow in a pti function approximation that neglects nondiagonal hole line diagrams and all the "folded" diagrams. The results obtained for localised orbitals are significantly
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