๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Description of two- and many-electron processes by the SAC-CI method

โœ Scribed by Hiroshi Nakatsuji

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
537 KB
Volume
177
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Ground and excited states of Mg porphin
Ground and excited states of Mg porphin studied by the SAC/SAC-CI method
โœ J. Hasegawa; M. Hada; M. Nonoguchi; H. Nakatsuji ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

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
โœ Hiroshi Nakatsuji ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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.

The Hylleraas-CI method in molecular cal
The Hylleraas-CI method in molecular calculations. III. Implementation and numerical verification of a three-electron many-center theory
โœ D. Frye; A. Preiskorn; E. Clementi ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 506 KB

The general theory of three-electron Hylleraas-Configuration-Interaction method using linear correlation factors of the form r, has been implemented for molecular systems using Cartesian Gaussians as basis sets. A brief review of the theory and the form of the three-electron integrals is presented.

Excited states of GFP chromophore and ac
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations
โœ Jun-Ya Hasegawa; Kazuhiro Fujimoto; Ben Swerts; Tomoo Miyahara; Hiroshi Nakatsuj ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 441 KB

## Abstract Excited states of fluorescent proteins were studied using symmetryโ€adapted clusterโ€configuration interaction (SACโ€CI) method. Proteinโ€environmental effect on the excitation and fluorescence energies was investigated. In green fluorescent protein (GFP), the overall proteinโ€environmental