Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study

Yasushi Honda; Tadamasa Shida; Hiroshi Nakatsuji

doi:10.1021/jp3051565

Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/jp3051565 ◽

2012 ◽

Vol 116 (48) ◽

pp. 11833-11845 ◽

Cited By ~ 9

Author(s):

Yasushi Honda ◽

Tadamasa Shida ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Excitation Spectra ◽

Unsaturated Hydrocarbons ◽

Cluster Configuration ◽

Anion Radicals

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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 ◽

Cited By ~ 8

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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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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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 ◽

Cited By ~ 41

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 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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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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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 ◽

Cited By ~ 6

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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Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study

The Journal of Chemical Physics ◽

10.1063/1.1487827 ◽

2002 ◽

Vol 117 (5) ◽

pp. 2045-2052 ◽

Cited By ~ 39

Author(s):

Yasushi Honda ◽

Masahiko Hada ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

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 ◽

Cited By ~ 35

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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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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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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