Theoretical fine spectroscopy with symmetry adapted cluster–configuration interaction general-R method: First-row K-shell ionizations and their satellites

Kei Kuramoto; Masahiro Ehara; Hiroshi Nakatsuji

doi:10.1063/1.1824899

Theoretical fine spectroscopy with symmetry adapted cluster–configuration interaction general-R method: First-row K-shell ionizations and their satellites

The Journal of Chemical Physics ◽

10.1063/1.1824899 ◽

2005 ◽

Vol 122 (1) ◽

pp. 014304 ◽

Cited By ~ 47

Author(s):

Kei Kuramoto ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

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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The low-lying singlet electronic excited states of HfO2: A symmetry adapted cluster–configuration interaction (SAC-CI) study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.07.006 ◽

2016 ◽

Vol 1091 ◽

pp. 49-56 ◽

Cited By ~ 3

Author(s):

Yung-Ching Chou

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Electronic Excited States ◽

Cluster Configuration

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Potential energy curves of the ground, excited, and ionized states of Ar2 studied by the symmetry adapted cluster‐configuration interaction theory

The Journal of Chemical Physics ◽

10.1063/1.458329 ◽

1990 ◽

Vol 92 (10) ◽

pp. 6084-6092 ◽

Cited By ~ 27

Author(s):

Yoshihiro Mizukami ◽

Hiroshi Nakatsuji

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Potential Energy Curves ◽

Interaction Theory ◽

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 ◽

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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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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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) ◽

Cited By ~ 21

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 ◽

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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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 ◽

Cited By ~ 15

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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Fine theoretical spectroscopy using symmetry adapted cluster-configuration interaction general-R method: Outer- and inner-valence ionization spectra of CS2 and OCS

The Journal of Chemical Physics ◽

10.1063/1.1492798 ◽

2002 ◽

Vol 117 (7) ◽

pp. 3248-3255 ◽

Cited By ~ 30

Author(s):

Masahiro Ehara ◽

Mayumi Ishida ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Spectroscopy ◽

Cluster Configuration

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