Calculation of hyperfine splitting constants with Slater‐type cusp basis by the symmetry adapted cluster‐configuration interaction theory

H. Nakatsuji; M. Izawa

doi:10.1063/1.457387

Calculation of hyperfine splitting constants with Slater‐type cusp basis by the symmetry adapted cluster‐configuration interaction theory

The Journal of Chemical Physics ◽

10.1063/1.457387 ◽

1989 ◽

Vol 91 (10) ◽

pp. 6205-6214 ◽

Cited By ~ 46

Author(s):

H. Nakatsuji ◽

M. Izawa

Keyword(s):

Configuration Interaction ◽

Hyperfine Splitting ◽

Interaction Theory ◽

Slater Type ◽

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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Hyperfine splitting constants studied by the symmetry adapted cluster‐configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.467145 ◽

1994 ◽

Vol 100 (8) ◽

pp. 5821-5828 ◽

Cited By ~ 22

Author(s):

Hiroshi Nakatsuji ◽

Masahiro Ehara ◽

Takamasa Momose

Keyword(s):

Configuration Interaction ◽

Hyperfine Splitting ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Perturbed Rydberg series: Relationship between quantum-defect and configuration-interaction theory

Physical Review A ◽

10.1103/physreva.20.1773 ◽

1979 ◽

Vol 20 (5) ◽

pp. 1773-1783 ◽

Cited By ~ 22

Author(s):

F. H. Mies

Keyword(s):

Configuration Interaction ◽

Quantum Defect ◽

Interaction Theory ◽

Rydberg Series

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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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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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Remarks on the Description of Excited Electronic States by Configuration Interaction Theory and a Study of the 1(π → π*) State of H2CO

The Journal of Chemical Physics ◽

10.1063/1.1677062 ◽

1972 ◽

Vol 56 (11) ◽

pp. 5458-5466 ◽

Cited By ~ 57

Author(s):

J. L. Whitten

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Interaction Theory ◽

Excited Electronic States ◽

Π State

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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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Application of Löwdin's canonical orthogonalization method to the Slater-type orbital configuration-interaction basis set

International Journal of Quantum Chemistry ◽

10.1002/qua.24867 ◽

2015 ◽

Vol 115 (7) ◽

pp. 434-441 ◽

Cited By ~ 7

Author(s):

Li Guang Jiao ◽

Yew Kam Ho

Keyword(s):

Configuration Interaction ◽

Basis Set ◽

Slater Type ◽

Slater Type Orbital ◽

Orthogonalization Method ◽

Type Orbital ◽

Orbital Configuration

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