On the stability of Be3: A benchmark complete active space self-consistent field + averaged quadratic coupled cluster study

The Journal of Chemical Physics ◽

10.1063/1.3635403 ◽

2011 ◽

Vol 135 (10) ◽

pp. 104311 ◽

Author(s):

J. I. Amaro-Estrada ◽

A. Scemama ◽

M. Caffarel ◽

A. Ramírez-Solís

Keyword(s):

Coupled Cluster ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The implementation for low-lying excited states

The Journal of Chemical Physics ◽

10.1063/1.3043728 ◽

2008 ◽

Vol 129 (23) ◽

pp. 234106 ◽

Author(s):

Tao Fang ◽

Jun Shen ◽

Shuhua Li

Keyword(s):

Excited States ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Reference Function ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states

The Journal of Chemical Physics ◽

10.1063/1.3256297 ◽

2009 ◽

Vol 131 (17) ◽

pp. 174101 ◽

Author(s):

Jun Shen ◽

Shuhua Li

Keyword(s):

Excited States ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Complete Active Space ◽

Electronic Excited States ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: The formulation and test applications for single bond breaking

The Journal of Chemical Physics ◽

10.1063/1.2800027 ◽

2007 ◽

Vol 127 (20) ◽

pp. 204108 ◽

Author(s):

Tao Fang ◽

Shuhua Li

Keyword(s):

Coupled Cluster ◽

Bond Breaking ◽

Single Bond ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Block Correlated Coupled Cluster Theory With A Complete Active-Space Self-Consistent-Field Reference Function: The General Formalism And Applications

Challenges and Advances in Computational Chemistry and Physics - Recent Progress in Coupled Cluster Methods ◽

10.1007/978-90-481-2885-3_6 ◽

2010 ◽

pp. 145-174 ◽

Author(s):

Tao Fang ◽

Jun Shen ◽

Shuhua Li

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Reference Function ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The formula for general active spaces and its applications for multibond breaking systems

The Journal of Chemical Physics ◽

10.1063/1.2939014 ◽

2008 ◽

Vol 128 (22) ◽

pp. 224107 ◽

Author(s):

Tao Fang ◽

Jun Shen ◽

Shuhua Li

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Reference Function ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Publisher’s Note: “Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The implementation for low-lying excited states” [J. Chem. Phys. 129, 234106 (2008)]

The Journal of Chemical Physics ◽

10.1063/1.3158805 ◽

2009 ◽

Vol 130 (23) ◽

pp. 239901

Author(s):

Tao Fang ◽

Jun Shen ◽

Shuhua Li

Keyword(s):

Excited States ◽

Chem Phys ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Complete Active Space ◽

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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Correction to “Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method”

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c00317 ◽

2020 ◽

Vol 16 (5) ◽

pp. 3445-3445

Author(s):

Andrew J. Jenkins ◽

Hongbin Liu ◽

Joseph M. Kasper ◽

Michael J. Frisch ◽

Xiaosong Li

Keyword(s):

Field Method ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Two Component ◽

Self Consistent ◽

Self Consistent Field

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A priori complete active space self consistent field localized orbitals: an application on linear polyenes

Molecular Physics ◽

10.1080/00268970500417903 ◽

2006 ◽

Vol 104 (5-7) ◽

pp. 691-700 ◽

Author(s):

Celestino Angeli ◽

Manuel Sparta† ◽

Renzo Cimiraglia

Keyword(s):

A Priori ◽

Localized Orbitals ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Linear Polyenes

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The effect of dynamical correlation on the valence wavefunction of molecules: Dressed complete active space self-consistent field calculations

Chemical Physics ◽

10.1016/0301-0104(90)85045-x ◽

1990 ◽

Vol 147 (2-3) ◽

pp. 293-307 ◽

Author(s):

A. Clotet ◽

J.P. Daudey ◽

J.P. Malrieu ◽

J. Rubio ◽

F. Spiegelmann

Keyword(s):

Dynamical Correlation ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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