Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories
โ Scribed by Hiroshi Nakatsuji
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 356 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
We have summarized the solutions of the SAC (symmetry-adapted-cluster) and SAC CI theories for the study of electron correlations in ground and excited states, respectively. Variational and non-variational solutions are considered for both theories and their features are discussed.
๐ SIMILAR VOLUMES
Clectron correlatton efiects on mner-valence lonizatlon and its satelhtes III water are studled by syxmetry\_ad3ptedcluster (SW and SAC Cl theoncs. The cluster approximation of electron seems co be adequate even for the shake-up (simultaneous lonnxion-excnation) process as it is ior ordinary excitat