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

Vladimir V. Ivanov; Ludwik Adamowicz; Dmitry I. Lyakh

doi:10.1063/1.2190221

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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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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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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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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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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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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Approximating electronically excited states with equation-of-motion linear coupled-cluster theory

The Journal of Chemical Physics ◽

10.1063/1.4934232 ◽

2015 ◽

Vol 143 (16) ◽

pp. 164103 ◽

Cited By ~ 17

Author(s):

Jason N. Byrd ◽

Varun Rishi ◽

Ajith Perera ◽

Rodney J. Bartlett

Keyword(s):

Excited States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Electronically Excited States ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Electronically Excited

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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00833 ◽

2017 ◽

Vol 13 (11) ◽

pp. 5572-5581 ◽

Cited By ~ 7

Author(s):

J. Coleman Howard ◽

James C. Womack ◽

Jacek Dziedzic ◽

Chris-Kriton Skylaris ◽

Benjamin P. Pritchard ◽

...

Keyword(s):

Excited States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Electronically Excited States ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Dielectric Model ◽

Electronically Excited

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Similarity transformed equation of motion coupled cluster theory revisited: a benchmark study of valence excited states

Molecular Physics ◽

10.1080/00268976.2013.847216 ◽

2013 ◽

Vol 112 (5-6) ◽

pp. 616-638 ◽

Cited By ~ 31

Author(s):

J. Sous ◽

P. Goel ◽

M. Nooijen

Keyword(s):

Excited States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Benchmark Study

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