## Abstract The symmetry‐adapted‐cluster (SAC) and SAC–CI theories reported previously have been applied to the study of electron correlations in ground state, singlet and triplet excited states, ionized state, and electron attached state. Formulas for calculations of one‐electron properties and tr
Cluster expansion of the wave function. Ionization and excitation spectra of no radical studied by the SAC and SAC-CI theory
✍ Scribed by Hiroshi Nakatsuji
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 666 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0020-7608
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📜 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
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.
The SAC (symmetry adapted cluster)/SAC-CI method is applied to the ground and excited states of magnesium porphin (MgP). The rr interaction between the Mg atom and the porphin ring is small and, therefore, the essential difference between MgP and free base porphin (FBP) lies in symmetry; the former
## Abstract Excited states of fluorescent proteins were studied using symmetry‐adapted cluster‐configuration interaction (SAC‐CI) method. Protein‐environmental effect on the excitation and fluorescence energies was investigated. In green fluorescent protein (GFP), the overall protein‐environmental