A restricted active space self‐consistent field and multireference configuration interaction study of the lifetime of the A 3Π state of SO

The Journal of Chemical Physics ◽

10.1063/1.462487 ◽

1992 ◽

Vol 96 (1) ◽

pp. 504-512 ◽

Author(s):

Markus P. Fülscher ◽

Michal Jaszunski ◽

Björn O. Roos ◽

Wolfgang P. Kraemer

Keyword(s):

Configuration Interaction ◽

Interaction Study ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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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 ◽

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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Selectivity of the α and β bond fissions for bromoacetyl chloride upon n→π* excitation: A combined complete-active-space self-consistent field and multireference configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.1515318 ◽

2002 ◽

Vol 117 (19) ◽

pp. 8745-8753 ◽

Author(s):

Wan-Jian Ding ◽

Wei-Hai Fang ◽

Ruo-Zhuang Liu ◽

De-Cai Fang

Keyword(s):

Configuration Interaction ◽

Interaction Study ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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A complete active space self-consistent field multiconfiguration reference configuration interaction study of the potential energy curves of the ground and excited states of CCl

The Journal of Chemical Physics ◽

10.1063/1.1336542 ◽

2001 ◽

Vol 114 (5) ◽

pp. 2192-2196 ◽

Author(s):

Yumin Li ◽

Joseph S. Francisco

Keyword(s):

Potential Energy ◽

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Interaction Study ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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A complete active space self-consistent field multireference configuration interaction study of the low-lying excited states of BrO

The Journal of Chemical Physics ◽

10.1063/1.1318751 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8556-8560 ◽

Author(s):

Yumin Li ◽

Joseph S. Francisco ◽

Kirk A. Peterson

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ab initio self-consistent field and configuration interaction study of beryllium borohydride

Journal of the American Chemical Society ◽

10.1021/ja00803a011 ◽

1973 ◽

Vol 95 (22) ◽

pp. 7244-7250 ◽

Author(s):

Dennis S. Marynick ◽

William N. Lipscomb

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Interaction Study ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ionisation of cyano derivatives: a Penning ionisation electron spectroscopy and theoretical self-consistent field/configuration interaction study

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/19/10/018 ◽

1986 ◽

Vol 19 (10) ◽

pp. 1497-1505 ◽

Author(s):

J Perreau ◽

C Reynaud ◽

G Lecayon ◽

Y Ellinger

Keyword(s):

Configuration Interaction ◽

Electron Spectroscopy ◽

Field Configuration ◽

Interaction Study ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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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 ◽

Author(s):

A. Ramírez Solís ◽

J. P. Daudey ◽

C. Teichteil

Keyword(s):

Configuration Interaction ◽

Interaction Study ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Complete active space self-consistent field and multireference configuration interaction studies of the differences between the low-lying excited states of HO2 and HO2–H2O

The Journal of Chemical Physics ◽

10.1063/1.478821 ◽

1999 ◽

Vol 110 (18) ◽

pp. 9017-9019 ◽

Author(s):

Simone Aloisio ◽

Yumin Li ◽

Joseph S. Francisco

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Interaction Studies ◽

Self Consistent ◽

Self Consistent Field

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Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states

The Journal of Chemical Physics ◽

10.1063/1.1420748 ◽

2002 ◽

Vol 116 (1) ◽

pp. 42 ◽

Author(s):

Thorsten Klüner ◽

Niranjan Govind ◽

Yan Alexander Wang ◽

Emily A. Carter

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Density Functional ◽

Complete Active Space ◽

Active Space ◽

Embedding Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Configuration Interaction Calculations

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ChemInform Abstract: AB INITIO SELF-CONSISTENT FIELD AND CONFIGURATION INTERACTION STUDY OF BERYLLIUM BOROHYDRIDE

Chemischer Informationsdienst ◽

10.1002/chin.197402001 ◽

1974 ◽

Vol 5 (2) ◽

pp. no-no

Author(s):

DENNIS S. MARYNICK ◽

WILLIAM N. LIPSCOMB

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Interaction Study ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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