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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Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

The Journal of Chemical Physics ◽

10.1063/1.4864756 ◽

2014 ◽

Vol 140 (6) ◽

pp. 064114 ◽

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Roberto Cammi

Keyword(s):

Configuration Interaction ◽

Continuum Model ◽

Electronic Excitation ◽

Polarizable Continuum Model ◽

Interaction Method ◽

Configuration Interaction Method ◽

Excitation Spectra ◽

Perturbative Approach ◽

Cluster Configuration ◽

Polarizable Continuum

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Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

10.1063/1.4938820 ◽

2015 ◽

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Configuration Interaction ◽

Continuum Model ◽

Electronic Excitation ◽

Polarizable Continuum Model ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration ◽

Polarizable Continuum

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Electronic excitation and ionization spectra of cyclopentadiene: Revisit by the symmetry-adapted cluster–configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.1290004 ◽

2000 ◽

Vol 113 (13) ◽

pp. 5245 ◽

Author(s):

Jian Wan ◽

Masahiro Ehara ◽

Masahiko Hada ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Electronic Excitation ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: Theory of the solvent effect on the electronic excitation of molecules in solution

The Journal of Chemical Physics ◽

10.1063/1.3456540 ◽

2010 ◽

Vol 133 (2) ◽

pp. 024104 ◽

Author(s):

Roberto Cammi ◽

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Solvent Effect ◽

Model Theory ◽

Configuration Interaction ◽

Continuum Model ◽

Electronic Excitation ◽

Polarizable Continuum Model ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration ◽

Polarizable Continuum

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Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster–configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.1316034 ◽

2000 ◽

Vol 113 (18) ◽

pp. 7853-7866 ◽

Author(s):

Jian Wan ◽

Jaroslaw Meller ◽

Masahiko Hada ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Electronic Excitation ◽

Interaction Method ◽

Configuration Interaction Method ◽

Excitation Spectra ◽

Cluster Configuration

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Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.1332118 ◽

2001 ◽

Vol 114 (2) ◽

pp. 842 ◽

Author(s):

Jian Wan ◽

Masahiko Hada ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Excitation Spectrum ◽

Configuration Interaction ◽

Electronic Excitation ◽

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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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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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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