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

Roberto Cammi; Ryoichi Fukuda; Masahiro Ehara; Hiroshi Nakatsuji

doi:10.1063/1.3456540

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 ◽

Cited By ~ 66

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 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 ◽

Cited By ~ 10

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 ◽

Cited By ~ 3

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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Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

The Journal of Chemical Physics ◽

10.1063/1.3562211 ◽

2011 ◽

Vol 134 (10) ◽

pp. 104109 ◽

Cited By ~ 48

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji ◽

Roberto Cammi

Keyword(s):

Configuration Interaction ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration ◽

Nonequilibrium Solvation ◽

Polarizable Continuum

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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 ◽

Cited By ~ 40

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 ◽

Cited By ~ 10

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 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 ◽

Cited By ~ 27

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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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 ◽

Cited By ~ 73

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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Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC–CI) Method: Confined Electronic Excited States of Furan as a Test Case

Journal of Chemical Theory and Computation ◽

10.1021/ct5011517 ◽

2015 ◽

Vol 11 (5) ◽

pp. 2063-2076 ◽

Cited By ~ 19

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Roberto Cammi

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Test Case ◽

Extreme Pressure ◽

Molecular Systems ◽

Electronic Excited States ◽

Cluster Configuration ◽

Polarizable Continuum

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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 ◽

Cited By ~ 41

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 ◽

Cited By ~ 11

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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