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Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories

โœ 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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โœฆ 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.


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Cluster expansion of the wavefunction. S
โœ Hiroshi Nakatsuji; Teijiro Yonezawa ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 497 KB

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