Theoretical study on molecular and dissociative chemisorptions of an O2 molecule on an Ag surface: dipped adcluster model combined with symmetry-adapted cluster-configuration interaction method

Chemical Physics Letters ◽

10.1016/0009-2614(90)85346-e ◽

1990 ◽

Vol 174 (3-4) ◽

pp. 283-286 ◽

Author(s):

Hiroshi Nakatsuji ◽

Hiromi Nakai

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical study of the singlet and triplet vertical electronic transitions of styrene by the symmetry adapted cluster-configuration interaction method

Chemical Physics ◽

10.1016/j.chemphys.2004.03.028 ◽

2004 ◽

Vol 302 (1-3) ◽

pp. 125-134 ◽

Author(s):

Jian Wan ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Electronic Transitions ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical Study on the Excited Electronic States of Coronene and Its π-Extended Molecules Using the Symmetry-Adapted Cluster-Configuration Interaction Method

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20120317 ◽

2013 ◽

Vol 86 (4) ◽

pp. 445-451 ◽

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Electronic States ◽

Interaction Method ◽

Excited Electronic States ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster—Configuration interaction method

Journal of Computational Chemistry ◽

10.1002/jcc.20555 ◽

2007 ◽

Vol 28 (10) ◽

pp. 1658-1667 ◽

Author(s):

Yongjian Li ◽

Jian Wan ◽

Xin Xu

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Theoretical Study ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Valence ionization spectra of group six metal hexacarbonyls studied by the symmetry-adapted cluster-configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.3257963 ◽

2009 ◽

Vol 131 (17) ◽

pp. 174303 ◽

Author(s):

Ryoichi Fukuda ◽

Seigo Hayaki ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration ◽

Metal Hexacarbonyls

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Calculation of Dyson orbitals using a symmetry-adapted-cluster configuration-interaction method for electron momentum spectroscopy:N2andH2O

Physical Review A ◽

10.1103/physreva.83.062706 ◽

2011 ◽

Vol 83 (6) ◽

Author(s):

Y. R. Miao ◽

C. G. Ning ◽

J. K. Deng

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Electron Momentum ◽

Cluster Configuration

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Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.1351880 ◽

2001 ◽

Vol 114 (12) ◽

pp. 5117-5123 ◽

Author(s):

Jian Wan ◽

Masahiko Hada ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Electronic Excitation ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster–configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices

The Journal of Chemical Physics ◽

10.1063/1.4897561 ◽

2014 ◽

Vol 141 (15) ◽

pp. 154104 ◽

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Charge Transfer ◽

Configuration Interaction ◽

Electronic Excitation ◽

Computational Scheme ◽

Interaction Method ◽

Configuration Interaction Method ◽

Excitation Energies ◽

Excitation Spectra ◽

Cluster Configuration

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Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method

Chemical Physics Letters ◽

10.1016/j.cplett.2012.09.062 ◽

2012 ◽

Vol 552 ◽

pp. 53-57 ◽

Author(s):

Ryoichi Fukuda ◽

Rungtiwa Chidthong ◽

Roberto Cammi ◽

Masahiro Ehara

Keyword(s):

Optical Absorption ◽

Configuration Interaction ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene

The Journal of Chemical Physics ◽

10.1063/1.1929730 ◽

2005 ◽

Vol 122 (23) ◽

pp. 234319 ◽

Author(s):

Masahiro Ehara ◽

Yuhki Ohtsuka ◽

Hiroshi Nakatsuji ◽

Masahiko Takahashi ◽

Yasuo Udagawa

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method

The Journal of Chemical Physics ◽

10.1063/1.2162892 ◽

2006 ◽

Vol 124 (5) ◽

pp. 054110 ◽

Author(s):

Yuhki Ohtsuka ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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