Calculation of molecular g tensors. Comparison of Rayleigh-Schrödinger and Hartree-Fock perturbation theory
✍ Scribed by Reinhard Angstl
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 1015 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0301-0104
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📜 SIMILAR VOLUMES
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
## Abstract The relation of the straightforward Rayleigh‐Schrödinger perturbation theory for the interaction of two atoms to the asymptotic exchange theory is described. The one‐electron case of a hydrogen atom perturbed by a nucleus is examined in detail. It is shown that the asymptotic theory con