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Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method

✍ Scribed by Takahito Nakajima; Hiroshi Nakatsuji

Book ID
108430787
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
142 KB
Volume
242
Category
Article
ISSN
0301-0104

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Cluster expansion of the wavefunction. E
Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories
✍ Hiroshi Nakatsuji 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 356 KB

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.