Cluster expansion of the wave function. Spin and electron correlations in doublet radicals studied by the symmetry adapted cluster and symmetry adapted cluster-configuration interaction theories

The Journal of Physical Chemistry ◽

10.1021/j100239a022 ◽

1983 ◽

Vol 87 (16) ◽

pp. 3068-3074 ◽

Author(s):

H. Nakatsuji ◽

K. Ohta ◽

T. Yonezawa

Keyword(s):

Wave Function ◽

Cluster Expansion ◽

Configuration Interaction ◽

Electron Correlations ◽

Cluster Configuration

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Cluster expansion of the wave function. Electron correlations in the ground state, valence and Rydberg excited states, ionized states, and electron attached states of formaldehyde by SAC and SAC–CI theories

The Journal of Chemical Physics ◽

10.1063/1.442386 ◽

1981 ◽

Vol 75 (6) ◽

pp. 2952-2958 ◽

Author(s):

H. Nakatsuji ◽

K. Ohta ◽

K. Hirao

Keyword(s):

Wave Function ◽

Excited States ◽

Cluster Expansion ◽

Ground State ◽

Electron Correlations

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Cluster expansion of the wave function. Electron correlations in singlet and triplet excited states, ionized states, and electron attached states bySAC andSAC-CI theories

International Journal of Quantum Chemistry ◽

10.1002/qua.560200613 ◽

1981 ◽

Vol 20 (6) ◽

pp. 1301-1313 ◽

Author(s):

Hiroshi Nakatsuji ◽

Kimihiko Hirao

Keyword(s):

Wave Function ◽

Excited States ◽

Cluster Expansion ◽

Electron Correlations ◽

Triplet Excited States

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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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Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function

The Journal of Chemical Physics ◽

10.1063/1.455919 ◽

1989 ◽

Vol 90 (5) ◽

pp. 2714-2731 ◽

Author(s):

Bogumil Jeziorski ◽

Josef Paldus

Keyword(s):

Wave Function ◽

Configuration Interaction ◽

Cluster Structure

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Structure of the exact wave function. II. Iterative configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.1383032 ◽

2001 ◽

Vol 115 (5) ◽

pp. 2000-2006 ◽

Author(s):

Hiroshi Nakatsuji ◽

Ernest R. Davidson

Keyword(s):

Wave Function ◽

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Exact Wave Function

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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 ◽

Author(s):

Yung-Ching Chou

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Electronic Excited States ◽

Cluster Configuration

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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 ◽

Author(s):

Kei Kuramoto ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

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 ◽

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 ◽

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 ◽

Author(s):

A. K. Das ◽

M. Ehara ◽

H. Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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