Quasi-degenerate perturbation theory withgeneral multiconfiguration self-consistent field reference functions

Journal of Computational Chemistry ◽

10.1002/jcc.10050 ◽

2002 ◽

Vol 23 (12) ◽

pp. 1166-1175 ◽

Author(s):

Haruyuki Nakano ◽

Ryuma Uchiyama ◽

Kimihiko Hirao

Keyword(s):

Perturbation Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Degenerate Perturbation Theory ◽

Reference Functions

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Second-order quasi-degenerate perturbation theory with quasi-complete active space self-consistent field reference functions

The Journal of Chemical Physics ◽

10.1063/1.1332992 ◽

2001 ◽

Vol 114 (3) ◽

pp. 1133-1141 ◽

Author(s):

Haruyuki Nakano ◽

Junji Nakatani ◽

Kimihiko Hirao

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Degenerate Perturbation Theory ◽

Reference Functions

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The Most Stable Structure of SiC3Studied by Multireference Perturbation Theory with General Multiconfiguration Self-Consistent Field Reference Functions†

The Journal of Physical Chemistry A ◽

10.1021/jp031133k ◽

2004 ◽

Vol 108 (15) ◽

pp. 3064-3067 ◽

Author(s):

Yuki Kurashige ◽

Haruyuki Nakano ◽

Kimihiko Hirao

Keyword(s):

Perturbation Theory ◽

Stable Structure ◽

Multireference Perturbation Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Functions

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Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions

The Journal of Chemical Physics ◽

10.1063/1.465674 ◽

1993 ◽

Vol 99 (10) ◽

pp. 7983-7992 ◽

Author(s):

Haruyuki Nakano

Keyword(s):

Perturbation Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Functions

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Molecular g-tensors from analytical response theory and quasi-degenerate perturbation theory in the framework of complete active space self-consistent field method

Molecular Physics ◽

10.1080/00268976.2015.1012128 ◽

2015 ◽

Vol 113 (13-14) ◽

pp. 1750-1767 ◽

Author(s):

Tran Nguyen Lan ◽

Jakub Chalupský ◽

Takeshi Yanai

Keyword(s):

Perturbation Theory ◽

Field Method ◽

Response Theory ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Analytical Response ◽

Degenerate Perturbation Theory

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Degenerate perturbation theory corrections for the vibrational self-consistent field approximation: Method and applications

The Journal of Chemical Physics ◽

10.1063/1.1494978 ◽

2002 ◽

Vol 117 (8) ◽

pp. 3541-3547 ◽

Author(s):

Nikita Matsunaga ◽

Galina M. Chaban ◽

R. Benny Gerber

Keyword(s):

Perturbation Theory ◽

Approximation Method ◽

Field Approximation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Degenerate Perturbation Theory

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Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functions

The Journal of Chemical Physics ◽

10.1063/1.3609756 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044101 ◽

Author(s):

Luke Roskop ◽

Mark S. Gordon

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Second Order Perturbation Theory ◽

Reference Functions

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Thermodynamic Perturbation Theory for Classical Systems Based on Self-Consistent Field Model

Ukrainian Journal of Physics ◽

10.15407/ujpe60.06.0553 ◽

2015 ◽

Vol 60 (6) ◽

pp. 553-560

Author(s):

Yu.M. Poluektov ◽

Keyword(s):

Perturbation Theory ◽

Field Model ◽

Thermodynamic Perturbation Theory ◽

Classical Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Thermodynamic Perturbation

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Theoretical Study on Electronic and Spin Structures of [Fe2S2]2+,+Cluster: Reference Interaction Site Model Self-Consistent Field (RISM-SCF) and Multireference Second-Order Møller−Plesset Perturbation Theory (MRMP) Approach

The Journal of Physical Chemistry A ◽

10.1021/jp0581429 ◽

2005 ◽

Vol 109 (43) ◽

pp. 9867-9874 ◽

Author(s):

Masahiro Higashi ◽

Shigeki Kato

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Spin Structures ◽

Interaction Site ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Moller Plesset ◽

Plesset Perturbation Theory

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PERTURBATION THEORY OF THE SELF-CONSISTENT FIELD

10.21236/ad0620056 ◽

1965 ◽

Author(s):

A. K. Rajagopal

Keyword(s):

Perturbation Theory ◽

The Self ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00382 ◽

2016 ◽

Vol 12 (7) ◽

pp. 3208-3213 ◽

Author(s):

Dongxia Ma ◽

Giovanni Li Manni ◽

Jeppe Olsen ◽

Laura Gagliardi

Keyword(s):

Perturbation Theory ◽

Wave Functions ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Second Order Perturbation Theory

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