New scheme for solving the amplitude equations in the state-specific coupled cluster theory with complete active space reference for ground and excited states

Vladimir V. Ivanov; Ludwik Adamowicz

doi:10.1063/1.1318758

New scheme for solving the amplitude equations in the state-specific coupled cluster theory with complete active space reference for ground and excited states

The Journal of Chemical Physics ◽

10.1063/1.1318758 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8503-8513 ◽

Cited By ~ 19

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz

Keyword(s):

Excited States ◽

The State ◽

Coupled Cluster ◽

Amplitude Equations ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space

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Electronic Excited States in the State-Specific Multireference Coupled Cluster Theory with a Complete-Active-Space Reference

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

10.1007/978-90-481-2885-3_9 ◽

2010 ◽

pp. 219-249 ◽

Cited By ~ 2

Author(s):

Vladimir V. Ivanov ◽

Dmitry I. Lyakh ◽

Ludwik Adamowicz

Keyword(s):

Excited States ◽

The State ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Electronic Excited States ◽

Active Space

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Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference

The Journal of Chemical Physics ◽

10.1063/1.2190221 ◽

2006 ◽

Vol 124 (18) ◽

pp. 184302 ◽

Cited By ~ 21

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz ◽

Dmitry I. Lyakh

Keyword(s):

Excited States ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space

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General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: Implementation and application to ScH

The Journal of Chemical Physics ◽

10.1063/1.4827638 ◽

2013 ◽

Vol 139 (19) ◽

pp. 194106 ◽

Cited By ~ 8

Author(s):

Mickaël Hubert ◽

Jeppe Olsen ◽

Jessica Loras ◽

Timo Fleig

Keyword(s):

Excited States ◽

Coupled Cluster ◽

Electronically Excited States ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Active Space ◽

Electronically Excited

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Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation

The Journal of Chemical Physics ◽

10.1063/1.4926392 ◽

2015 ◽

Vol 143 (2) ◽

pp. 024109 ◽

Cited By ~ 5

Author(s):

Irina A. Zaporozhets ◽

Vladimir V. Ivanov ◽

Dmitry I. Lyakh ◽

Ludwik Adamowicz

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space ◽

Bond Stretching ◽

Space State

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Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.04.043 ◽

2006 ◽

Vol 768 (1-3) ◽

pp. 97-101 ◽

Cited By ~ 14

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz ◽

Dmitry I. Lyakh

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Excited States ◽

Hydrogen Fluoride ◽

Energy Surface ◽

The State ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Electron Excited States

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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 ◽

Cited By ~ 43

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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A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states

The Journal of Chemical Physics ◽

10.1063/1.2828548 ◽

2008 ◽

Vol 128 (7) ◽

pp. 074101 ◽

Cited By ~ 44

Author(s):

Dmitry I. Lyakh ◽

Vladimir V. Ivanov ◽

Ludwik Adamowicz

Keyword(s):

Excited States ◽

The State ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Complete Active Space ◽

Electronic Excited States ◽

Active Space

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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 ◽

Cited By ~ 3

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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Multireference State–Specific Coupled Cluster Theory with a Complete Active Space Reference

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_3 ◽

2011 ◽

pp. 69-101

Author(s):

Vladimir V. Ivanov ◽

Dmitry I. Lyakh ◽

Tatyana A. Klimenko ◽

Ludwik Adamowicz

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space

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Inclusion of selected higher excitations involving active orbitals in the state-specific multireference coupled-cluster theory

The Journal of Chemical Physics ◽

10.1063/1.3515478 ◽

2010 ◽

Vol 133 (23) ◽

pp. 234110 ◽

Cited By ~ 30

Author(s):

Sanghamitra Das ◽

Mihály Kállay ◽

Debashis Mukherjee

Keyword(s):

The State ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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