Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes: Symmetry adapted cluster–configuration interaction study

Hiroyuki Nakashima; Tadamasa Shida; Hiroshi Nakatsuji

doi:10.1063/1.4722335

Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes: Symmetry adapted cluster–configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.4722335 ◽

2012 ◽

Vol 136 (21) ◽

pp. 214306 ◽

Cited By ~ 7

Author(s):

Hiroyuki Nakashima ◽

Tadamasa Shida ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Electronic Excitation ◽

Radical Anions ◽

Interaction Study ◽

Excitation Spectra ◽

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 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 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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Excited states of Na and Al iso-electronic ions: Symmetry adapted cluster-configuration interaction study

International Journal of Quantum Chemistry ◽

10.1002/qua.10037 ◽

2002 ◽

Vol 87 (2) ◽

pp. 81-88 ◽

Cited By ~ 2

Author(s):

A. K. Das ◽

M. Ehara ◽

H. Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

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 ◽

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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Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study

The Journal of Chemical Physics ◽

10.1063/1.1504709 ◽

2002 ◽

Vol 117 (14) ◽

pp. 6533-6537 ◽

Cited By ~ 27

Author(s):

Kazuya Ishimura ◽

Masahiko Hada ◽

Hiroshi Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Theoretical study of valence photoelectron spectra of Re(CO)5X (X=Cl, Br, and I): A spin-orbit DK3 symmetry-adapted cluster/symmetry-adapted cluster-configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.2206186 ◽

2006 ◽

Vol 124 (22) ◽

pp. 224307 ◽

Cited By ~ 6

Author(s):

Takahito Nakajima ◽

Shintaro Hane ◽

Kimihiko Hirao

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Photoelectron Spectra ◽

Spin Orbit ◽

Interaction Study ◽

Cluster Configuration

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Symmetry adapted cluster‐configuration interaction study on the excited and ionized states of TiBr4 and TiI4

The Journal of Chemical Physics ◽

10.1063/1.468259 ◽

1994 ◽

Vol 101 (9) ◽

pp. 7658-7671 ◽

Cited By ~ 36

Author(s):

Hiroshi Nakatsuji ◽

Masahiro Ehara

Keyword(s):

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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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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Symmetry-adapted-cluster configuration interaction study of the doublet states of HCl+: Potential energy curves, dipole moments, and transition dipole moments

The Journal of Chemical Physics ◽

10.1063/1.2710260 ◽

2007 ◽

Vol 126 (12) ◽

pp. 124321 ◽

Cited By ~ 9

Author(s):

Valerij S. Gurin ◽

Mikhail V. Korolkov ◽

Vitaly E. Matulis ◽

Sergei K. Rakhmanov

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Dipole Moments ◽

Potential Energy Curves ◽

Interaction Study ◽

Transition Dipole ◽

Transition Dipole Moments ◽

Cluster Configuration

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