Generalized Møller–Plesset Multiconfiguration Perturbation Theory Applied to an Open-Shell Antisymmetric Product of Strongly Orthogonal Geminals Reference Wave Function

Moto Tarumi; Masato Kobayashi; Hiromi Nakai

doi:10.1021/ct300789a

Generalized Møller–Plesset Multiconfiguration Perturbation Theory Applied to an Open-Shell Antisymmetric Product of Strongly Orthogonal Geminals Reference Wave Function

Journal of Chemical Theory and Computation ◽

10.1021/ct300789a ◽

2012 ◽

Vol 8 (11) ◽

pp. 4330-4335 ◽

Cited By ~ 10

Author(s):

Moto Tarumi ◽

Masato Kobayashi ◽

Hiromi Nakai

Keyword(s):

Wave Function ◽

Perturbation Theory ◽

Open Shell ◽

Reference Wave ◽

Moller Plesset

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Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions

Chemical Physics Letters ◽

10.1016/0009-2614(91)90407-z ◽

1991 ◽

Vol 183 (5) ◽

pp. 443-448 ◽

Cited By ~ 130

Author(s):

Robert B. Murphy ◽

Richard P. Messmer

Keyword(s):

Perturbation Theory ◽

Wave Functions ◽

Reference Wave ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Consistent generalization of the Møller-Plesset partitioning to open-shell and multiconfigurational SCF reference states in many-body perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(87)80448-7 ◽

1987 ◽

Vol 140 (3) ◽

pp. 225-231 ◽

Cited By ~ 137

Author(s):

Krzysztof Wolinski ◽

Harrell L. Sellers ◽

Peter Pulay

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Many Body ◽

Many Body Perturbation Theory ◽

Moller Plesset

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Second-order Møller-Plesset perturbation theory for molecular Dirac-Hartree-Fock wavefunctions. Theory for up to two open-shell electrons

Chemical Physics Letters ◽

10.1016/0009-2614(94)00488-9 ◽

1994 ◽

Vol 224 (1-2) ◽

pp. 186-194 ◽

Cited By ~ 48

Author(s):

Kenneth G. Dyall

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Second Order ◽

Hartree Fock ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Multireference Møller—Plesset perturbation theory for high-spin open-shell systems

Chemical Physics Letters ◽

10.1016/0009-2614(92)85710-r ◽

1992 ◽

Vol 196 (5) ◽

pp. 397-403 ◽

Cited By ~ 265

Author(s):

K. Hirao

Keyword(s):

Perturbation Theory ◽

High Spin ◽

Open Shell ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Second-order Møller–Plesset perturbation theory without basis set superposition error. II. Open-shell systems

The Journal of Chemical Physics ◽

10.1063/1.1650306 ◽

2004 ◽

Vol 120 (13) ◽

pp. 5882-5889 ◽

Cited By ~ 12

Author(s):

P. Salvador ◽

I. Mayer

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Second Order ◽

Basis Set ◽

Basis Set Superposition Error ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Accurate Open-Shell Noncovalent Interaction Energies from the Orbital-Optimized Møller–Plesset Perturbation Theory: Achieving CCSD Quality at the MP2 Level by Orbital Optimization

Journal of Chemical Theory and Computation ◽

10.1021/ct4008124 ◽

2013 ◽

Vol 9 (11) ◽

pp. 4679-4683 ◽

Cited By ~ 19

Author(s):

Emine Soydaş ◽

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Noncovalent Interaction ◽

Interaction Energies ◽

Orbital Optimization ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Scalable Electron Correlation Methods. 6. Local Spin-Restricted Open-Shell Second-Order Møller–Plesset Perturbation Theory Using Pair Natural Orbitals: PNO-RMP2

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b01012 ◽

2018 ◽

Vol 15 (2) ◽

pp. 987-1005 ◽

Cited By ~ 6

Author(s):

Christine Krause ◽

Hans-Joachim Werner

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Open Shell ◽

Second Order ◽

Natural Orbitals ◽

Local Spin ◽

Correlation Methods ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Ab initio calculation of excited state energies using basis set optimization and open-shell Møller-Plesset perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(96)01038-x ◽

1996 ◽

Vol 262 (1-2) ◽

pp. 59-65 ◽

Cited By ~ 12

Author(s):

V.N. Glushkov ◽

A.Ya. Tsaune

Keyword(s):

Perturbation Theory ◽

Excited State ◽

Ab Initio ◽

Ab Initio Calculation ◽

Open Shell ◽

Set Optimization ◽

Basis Set ◽

Moller Plesset ◽

Basis Set Optimization ◽

Plesset Perturbation Theory

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Open-shell Møller–Plesset perturbation theory based on the asymptotic method of obtaining SCF orbitals

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00142-0 ◽

1998 ◽

Vol 287 (1-2) ◽

pp. 189-194 ◽

Cited By ~ 23

Author(s):

V.N. Glushkov

Keyword(s):

Perturbation Theory ◽

Asymptotic Method ◽

Open Shell ◽

Moller Plesset ◽

Plesset Perturbation Theory

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A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/5.0033411 ◽

2021 ◽

Vol 154 (4) ◽

pp. 044101

Author(s):

L. Urban ◽

T. H. Thompson ◽

C. Ochsenfeld

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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