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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


Cluster expansion of the wave function.
✍ Hiroshi Nakatsuji; Kimihiko Hirao 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 597 KB

## 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 wavefunction. S
✍ Hiroshi Nakatsuji; Teijiro Yonezawa 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 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

Cluster expansion of the wavefunction. E
✍ 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.

Ground and excited states of Mg porphin
✍ J. Hasegawa; M. Hada; M. Nonoguchi; H. Nakatsuji 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 419 KB

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

Excited states of GFP chromophore and ac
✍ Jun-Ya Hasegawa; Kazuhiro Fujimoto; Ben Swerts; Tomoo Miyahara; Hiroshi Nakatsuj 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 441 KB

## 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