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

Haruyuki Nakano

doi:10.1063/1.465674

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 ◽

Cited By ~ 646

Author(s):

Haruyuki Nakano

Keyword(s):

Perturbation Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Functions

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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 ◽

Cited By ~ 85

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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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 ◽

Cited By ~ 8

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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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 ◽

Cited By ~ 30

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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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 ◽

Cited By ~ 48

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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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 ◽

Cited By ~ 11

Author(s):

Masahiro Higashi ◽

Shigeki Kato

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Spin Structures ◽

Interaction Site ◽

Site Model ◽

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 ◽

Cited By ~ 30

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 ◽

Field Wave ◽

Second Order Perturbation Theory

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Self-consistent field perturbation theory of molecular vibrations

Molecular Physics ◽

10.1080/002689798169168 ◽

1998 ◽

Vol 93 (3) ◽

pp. 477-484 ◽

Cited By ~ 1

Author(s):

ALEXEI V. SERGEEV ◽

DAVID Z. GOODSON

Keyword(s):

Perturbation Theory ◽

Molecular Vibrations ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Carbon-13 chemical shifts of the carbonyl group. 8. Approximate self-consistent-field perturbation theory

Journal of the American Chemical Society ◽

10.1021/ja00433a004 ◽

1976 ◽

Vol 98 (17) ◽

pp. 5074-5082 ◽

Cited By ~ 20

Author(s):

Gary E. Maciel ◽

Jerry L. Dallas ◽

Don P. Miller

Keyword(s):

Perturbation Theory ◽

Carbonyl Group ◽

Chemical Shifts ◽

Field Perturbation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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