Application of many-body rayleigh-schrödinger perturbation theory to calculation of ionization potentials and electron affinities
✍ Scribed by I. Hubač; V. Kvasnička; A. Holubec
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 326 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
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 calculations of sr-electron systems ye carried out.
📜 SIMILAR VOLUMES
## Rayleigh-Schr6dinger variational pertxhation theory is applied to the hydrogen-like atom with a perturbation proportional to l/r. It is r&orousIy shown &t the e.xact eigenfunction is obtained by direct summation of the perturbation ezqansion through infinite order.
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