The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States

Xinle Liu; Joseph E. Subotnik

doi:10.1021/ct4009377

The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States

Journal of Chemical Theory and Computation ◽

10.1021/ct4009377 ◽

2014 ◽

Vol 10 (3) ◽

pp. 1004-1020 ◽

Cited By ~ 27

Author(s):

Xinle Liu ◽

Joseph E. Subotnik

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Electronically Excited States ◽

Electronically Excited

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Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00671 ◽

2015 ◽

Vol 12 (1) ◽

pp. 305-312 ◽

Cited By ~ 26

Author(s):

Holger F. Bettinger ◽

Christina Tönshoff ◽

Markus Doerr ◽

Elsa Sanchez-Garcia

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Configuration Interaction ◽

Density Functional ◽

Interaction Study ◽

Functional Theory ◽

Electronically Excited States ◽

Electronically Excited

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Electronically excited states of chlorine monofluoride: A multi-reference configuration interaction study

Chemical Physics ◽

10.1016/0301-0104(88)87241-0 ◽

1988 ◽

Vol 121 (3) ◽

pp. 361-369 ◽

Cited By ~ 5

Author(s):

Katherine Valenta Darvesh ◽

Russell J. Boyd ◽

Sigrid D. Peyerimhoff

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Interaction Study ◽

Electronically Excited States ◽

Electronically Excited

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Comparison between hybrid functionals free of adjustable parameters and symmetry-adapted cluster–configuration interaction for electronically excited states of organic compounds: TD-PBE0-1/3 is better than expected

Theoretical Chemistry Accounts ◽

10.1007/s00214-015-1672-0 ◽

2015 ◽

Vol 134 (5) ◽

Cited By ~ 6

Author(s):

Mojtaba Alipour

Keyword(s):

Organic Compounds ◽

Excited States ◽

Configuration Interaction ◽

Electronically Excited States ◽

Electronically Excited ◽

Cluster Configuration ◽

Hybrid Functionals ◽

Better Than

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Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

The Journal of Chemical Physics ◽

10.1063/1.2973541 ◽

2008 ◽

Vol 129 (10) ◽

pp. 104103 ◽

Cited By ~ 375

Author(s):

Mario R. Silva-Junior ◽

Marko Schreiber ◽

Stephan P. A. Sauer ◽

Walter Thiel

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Configuration Interaction ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Electronically Excited States ◽

Electronically Excited ◽

Dependent Density

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Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

Chemical Physics ◽

10.1016/j.chemphys.2011.09.022 ◽

2012 ◽

Vol 399 ◽

pp. 94-110 ◽

Cited By ~ 7

Author(s):

Masahiro Ehara ◽

Piotr Piecuch ◽

Jesse J. Lutz ◽

Jeffrey R. Gour

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Equation Of Motion ◽

Coupled Cluster ◽

Electronically Excited States ◽

Electronically Excited ◽

Cluster Configuration

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Solvent effects in electronically excited states using the continuum solvation model COSMO in combination with multireference configuration interaction with singles and doubles (MR-CISD)

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0530-7 ◽

2003 ◽

Vol 111 (2-6) ◽

pp. 78-89 ◽

Cited By ~ 38

Author(s):

Silmar Andrade do Monte ◽

Thomas Müller ◽

Michal Dallos ◽

Hans Lischka ◽

Michael Diedenhofen ◽

...

Keyword(s):

Excited States ◽

Solvent Effects ◽

Configuration Interaction ◽

Continuum Solvation ◽

Solvation Model ◽

Electronically Excited States ◽

Continuum Solvation Model ◽

Electronically Excited ◽

The Continuum

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Erratum: “The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States”

Journal of Chemical Theory and Computation ◽

10.1021/ct500190r ◽

2014 ◽

Vol 10 (4) ◽

pp. 1835-1835 ◽

Cited By ~ 1

Author(s):

Xinle Liu ◽

Joseph E. Subotnik

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Electronically Excited States ◽

Electronically Excited

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The improved virtual orbital-complete active space configuration interaction method, a “packageable” efficientab initiomany-body method for describing electronically excited states

The Journal of Chemical Physics ◽

10.1063/1.1337053 ◽

2001 ◽

Vol 114 (6) ◽

pp. 2592-2600 ◽

Cited By ~ 84

Author(s):

Davin M. Potts ◽

Caroline M. Taylor ◽

Rajat K. Chaudhuri ◽

Karl F. Freed

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Method ◽

Configuration Interaction Method ◽

Electronically Excited States ◽

Complete Active Space ◽

Active Space ◽

Virtual Orbital ◽

Electronically Excited ◽

Body Method

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State-averaged Monte Carlo configuration interaction applied to electronically excited states

The Journal of Chemical Physics ◽

10.1063/1.4824888 ◽

2013 ◽

Vol 139 (15) ◽

pp. 154103 ◽

Cited By ~ 19

Author(s):

J. P. Coe ◽

M. J. Paterson

Keyword(s):

Monte Carlo ◽

Excited States ◽

Configuration Interaction ◽

Electronically Excited States ◽

Electronically Excited

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The electronically excited states of cyclooctatetraene—An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods

The Journal of Chemical Physics ◽

10.1063/1.5115997 ◽

2019 ◽

Vol 151 (8) ◽

pp. 084304 ◽

Cited By ~ 2

Author(s):

Michael H. Palmer ◽

Søren Vrønning Hoffmann ◽

Nykola C. Jones ◽

Marcello Coreno ◽

Monica de Simone ◽

...

Keyword(s):

Absorption Spectrum ◽

Ab Initio ◽

Excited States ◽

Configuration Interaction ◽

Vacuum Ultraviolet ◽

Ultraviolet Absorption ◽

Ultraviolet Absorption Spectrum ◽

Electronically Excited States ◽

Electronically Excited

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