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

Hiroshi Nakatsuji; Masahiro Ehara

doi:10.1063/1.468259

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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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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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 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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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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Photoelectron Spectra of Some Important Biological Molecules: Symmetry-Adapted-Cluster Configuration Interaction Study

The Journal of Physical Chemistry B ◽

10.1021/jp311213c ◽

2013 ◽

Vol 117 (20) ◽

pp. 6027-6041 ◽

Cited By ~ 21

Author(s):

Hossein Farrokhpour ◽

Maryam Ghandehari

Keyword(s):

Configuration Interaction ◽

Biological Molecules ◽

Photoelectron Spectra ◽

Interaction Study ◽

Cluster Configuration

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Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.2162539 ◽

2006 ◽

Vol 124 (3) ◽

pp. 034312 ◽

Cited By ~ 10

Author(s):

Sundaram Arulmozhiraja ◽

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Vinyl Chloride ◽

Configuration Interaction ◽

Electronic Spectra ◽

Interaction Study ◽

Cluster Configuration

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Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.4935578 ◽

2015 ◽

Vol 143 (20) ◽

pp. 204304 ◽

Cited By ~ 2

Author(s):

Sundaram Arulmozhiraja ◽

Michelle L. Coote ◽

Jun-ya Hasegawa

Keyword(s):

Excited State ◽

Configuration Interaction ◽

Electronic Spectra ◽

Interaction Study ◽

Cluster Configuration ◽

State Mixing

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Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

The Journal of Physical Chemistry A ◽

10.1021/jp021845v ◽

2003 ◽

Vol 107 (1) ◽

pp. 148-158 ◽

Cited By ~ 12

Author(s):

Surya Chattopadhyaya ◽

Anjan Chattopadhyay ◽

Kalyan Kumar Das

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Silicon Monoxide ◽

Interaction Study

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Complete-active-space self-consistent-field and contracted configuration-interaction study of the electron correlation in Ne,F−,Ne+, and F

Physical Review A ◽

10.1103/physreva.26.1192 ◽

1982 ◽

Vol 26 (3) ◽

pp. 1192-1199 ◽

Cited By ~ 15

Author(s):

Björn O. Roos ◽

Andrzej J. Sadlej ◽

Per E. M. Siegbahn

Keyword(s):

Configuration Interaction ◽

Electron Correlation ◽

Interaction Study ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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