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

Takahito Nakajima; Shintaro Hane; Kimihiko Hirao

doi:10.1063/1.2206186

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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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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Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology

Journal of Computational Chemistry ◽

10.1002/jcc.21832 ◽

2011 ◽

Vol 32 (11) ◽

pp. 2479-2491 ◽

Cited By ~ 17

Author(s):

Hossein Farrokhpour ◽

Fariman Fathi

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Photoelectron Spectra ◽

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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Spin–orbit configuration interaction study of the potential energy curves and radiative lifetimes of the low‐lying states of bismuth hydride

The Journal of Chemical Physics ◽

10.1063/1.466440 ◽

1994 ◽

Vol 100 (4) ◽

pp. 2989-3001 ◽

Cited By ~ 68

Author(s):

Aleksey B. Alekseyev ◽

Robert J. Buenker ◽

Heinz‐Peter Liebermann ◽

Gerhard Hirsch

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Potential Energy Curves ◽

Spin Orbit ◽

Interaction Study ◽

Radiative Lifetimes

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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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Spin–orbit all-electron configuration interaction study on the electronic structure and radiative lifetimes of low-lying excited states of CdH

Chemical Physics Letters ◽

10.1016/j.cplett.2014.03.017 ◽

2014 ◽

Vol 599 ◽

pp. 51-56 ◽

Cited By ~ 9

Author(s):

Rui Li ◽

Zhen Zhai ◽

Xiaomei Zhang ◽

Mingxing Jin ◽

Haifeng Xu ◽

...

Keyword(s):

Electronic Structure ◽

Excited States ◽

Configuration Interaction ◽

Electron Configuration ◽

Spin Orbit ◽

Interaction Study ◽

Radiative Lifetimes

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Multiconfigurational self‐consistent field–multireference configuration interaction study of the spectroscopy of CuI including spin–orbit couplings

The Journal of Chemical Physics ◽

10.1063/1.459399 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7277-7283 ◽

Cited By ~ 23

Author(s):

A. Ramírez Solís ◽

J. P. Daudey ◽

C. Teichteil

Keyword(s):

Configuration Interaction ◽

Spin Orbit ◽

Interaction Study ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Mechanisms of f–f hypersensitive transition intensities of lanthanide trihalide molecules: a spin–orbit configuration interaction study

Highlights in Theoretical Chemistry - Isaiah Shavitt ◽

10.1007/978-3-662-48148-6_20 ◽

2014 ◽

pp. 219-233 ◽

Cited By ~ 1

Author(s):

Miho Hatanaka ◽

Satoshi Yabushita

Keyword(s):

Configuration Interaction ◽

Spin Orbit ◽

Interaction Study ◽

Hypersensitive Transition

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Configuration interaction study of electronic structures of CdCl including spin-orbit coupling

Chemical Physics Letters ◽

10.1016/j.cplett.2017.04.003 ◽

2017 ◽

Vol 677 ◽

pp. 92-98 ◽

Cited By ~ 1

Author(s):

Shutao Zhao ◽

Jicheng Cui ◽

Rui Li ◽

Bing Yan

Keyword(s):

Configuration Interaction ◽

Electronic Structures ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Interaction Study

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