Third-order generalized Van Vleck perturbation theory variant of multireference perturbation theory for electron correlation

Yuriy G. Khait; Wanyi Jiang; Mark R. Hoffmann

doi:10.1002/qua.22008

Third-order generalized Van Vleck perturbation theory variant of multireference perturbation theory for electron correlation

International Journal of Quantum Chemistry ◽

10.1002/qua.22008 ◽

2009 ◽

Vol 109 (9) ◽

pp. 1855-1873 ◽

Cited By ~ 8

Author(s):

Yuriy G. Khait ◽

Wanyi Jiang ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Third Order ◽

Multireference Perturbation Theory ◽

Van Vleck

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Molecular gradients for the second-order generalized Van Vleck variant of multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1579467 ◽

2003 ◽

Vol 119 (2) ◽

pp. 651-660 ◽

Cited By ~ 22

Author(s):

Timothy J. Dudley ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Multireference Perturbation Theory ◽

Van Vleck

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Third-order multireference perturbation theory The CASPT3 method

Molecular Physics ◽

10.1080/002689796173967 ◽

1996 ◽

Vol 89 (2) ◽

pp. 645-661 ◽

Cited By ~ 335

Author(s):

HANS-JOACHIM WERNER

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Multireference Perturbation Theory

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Third-order generalized Van Vleck perturbation theory study of the ground and lowest excited states of C2

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.01.036 ◽

2006 ◽

Vol 771 (1-3) ◽

pp. 73-78 ◽

Cited By ~ 3

Author(s):

Wanyi Jiang ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Third Order ◽

Van Vleck

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Third-order complete active space self-consistent field based generalized Van Vleck perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(93)89123-y ◽

1993 ◽

Vol 210 (1-3) ◽

pp. 193-200 ◽

Cited By ~ 33

Author(s):

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Van Vleck

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Driven similarity renormalization group: Third-order multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4979016 ◽

2017 ◽

Vol 146 (12) ◽

pp. 124132 ◽

Cited By ~ 16

Author(s):

Chenyang Li ◽

Francesco A. Evangelista

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Third Order ◽

Similarity Renormalization Group ◽

Multireference Perturbation Theory

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Erratum: “Driven similarity renormalization group: Third-order multireference perturbation theory” [J. Chem. Phys. 146, 124132 (2017)]

The Journal of Chemical Physics ◽

10.1063/1.5023904 ◽

2018 ◽

Vol 148 (7) ◽

pp. 079902 ◽

Cited By ~ 7

Author(s):

Chenyang Li ◽

Francesco A. Evangelista

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Chem Phys ◽

Third Order ◽

Similarity Renormalization Group ◽

Multireference Perturbation Theory

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Third-order M�ller-Plesset perturbation theory of electron correlation in infinite systems: A comparison of carbon- and silicon-based polymers

International Journal of Quantum Chemistry ◽

10.1002/qua.560480816 ◽

1993 ◽

Vol 48 (S27) ◽

pp. 131-146 ◽

Cited By ~ 17

Author(s):

S. Suhai

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Third Order ◽

Infinite Systems ◽

Silicon Based ◽

Plesset Perturbation Theory

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Ground states of the Mo2, W2, and CrMo molecules: A second and third order multireference perturbation theory study

The Journal of Chemical Physics ◽

10.1063/1.2768529 ◽

2007 ◽

Vol 127 (7) ◽

pp. 074306 ◽

Cited By ~ 26

Author(s):

Celestino Angeli ◽

Alex Cavallini ◽

Renzo Cimiraglia

Keyword(s):

Perturbation Theory ◽

Ground States ◽

Third Order ◽

Multireference Perturbation Theory

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Configuration-Driven Unitary Group Approach for Generalized Van Vleck Variant Multireference Perturbation Theory†

The Journal of Physical Chemistry A ◽

10.1021/jp811082p ◽

2009 ◽

Vol 113 (16) ◽

pp. 4374-4380 ◽

Cited By ~ 39

Author(s):

Wanyi Jiang ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Unitary Group ◽

Group Approach ◽

Multireference Perturbation Theory ◽

Unitary Group Approach ◽

Van Vleck

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Theoretical study on the size consistency of the second and third order energies of the multireference perturbation theory

Science in China Series B Chemistry ◽

10.1007/s11426-007-0074-0 ◽

2007 ◽

Vol 50 (4) ◽

pp. 483-487 ◽

Cited By ~ 5

Author(s):

FeiWu Chen

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Third Order ◽

Multireference Perturbation Theory ◽

Size Consistency

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