A local second-order Møller–Plesset method with localized orbitals: A parallelized efficient electron correlation method

Yoshihide Nakao; Kimihiko Hirao

doi:10.1063/1.1650304

A local second-order Møller–Plesset method with localized orbitals: A parallelized efficient electron correlation method

The Journal of Chemical Physics ◽

10.1063/1.1650304 ◽

2004 ◽

Vol 120 (14) ◽

pp. 6375-6380 ◽

Cited By ~ 21

Author(s):

Yoshihide Nakao ◽

Kimihiko Hirao

Keyword(s):

Electron Correlation ◽

Correlation Method ◽

Second Order ◽

Localized Orbitals ◽

Moller Plesset

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When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br

The Journal of Chemical Physics ◽

10.1063/1.3679969 ◽

2012 ◽

Vol 136 (5) ◽

pp. 054107 ◽

Cited By ~ 8

Author(s):

Shane P. McCarthy ◽

Ajit J. Thakkar

Keyword(s):

Electron Correlation ◽

Open Shell ◽

Second Order ◽

Moller Plesset

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Dynamic electron-correlation energy in the natural-orbital-functional second-order-Møller-Plesset method from the orbital-invariant perturbation theory

Physical Review A ◽

10.1103/physreva.98.022504 ◽

2018 ◽

Vol 98 (2) ◽

Cited By ~ 11

Author(s):

Mario Piris

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Correlation Energy ◽

Second Order ◽

Natural Orbital ◽

Electron Correlation Energy ◽

Moller Plesset ◽

Invariant 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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Regularized Orbital-Optimized Second-Order Møller–Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00731 ◽

2018 ◽

Vol 14 (10) ◽

pp. 5203-5219 ◽

Cited By ~ 33

Author(s):

Joonho Lee ◽

Martin Head-Gordon

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Second Order ◽

Orbital Energy ◽

Correlation Model ◽

Moller Plesset ◽

Energy Dependent ◽

Fifth Order ◽

Plesset Perturbation Theory

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Relativistic and electron-correlation effects on magnetizabilities investigated by the Douglas-Kroll-Hess method and the second-order Møller-Plesset perturbation theory

Journal of Computational Chemistry ◽

10.1002/jcc.21261 ◽

2009 ◽

Vol 30 (15) ◽

pp. 2550-2566 ◽

Cited By ~ 11

Author(s):

Terutaka Yoshizawa ◽

Masahiko Hada

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Second Order ◽

Correlation Effects ◽

Electron Correlation Effects ◽

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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A comparison of linear and nonlinear correlation factors for basis set limit Møller-Plesset second order binding energies and structures of He2, Be2, and Ne2

The Journal of Chemical Physics ◽

10.1063/1.2338037 ◽

2006 ◽

Vol 125 (9) ◽

pp. 094302 ◽

Cited By ~ 65

Author(s):

David P. Tew ◽

Wim Klopper

Keyword(s):

Second Order ◽

Binding Energies ◽

Basis Set ◽

Nonlinear Correlation ◽

Linear And Nonlinear ◽

Moller Plesset ◽

Correlation Factors

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Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

The Journal of Chemical Physics ◽

10.1063/1.1769362 ◽

2004 ◽

Vol 121 (6) ◽

pp. 2483 ◽

Cited By ~ 215

Author(s):

Dmitri G. Fedorov ◽

Kazuo Kitaura

Keyword(s):

Perturbation Theory ◽

Molecular Orbital ◽

Second Order ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Influence of diffuse and polarization functions on the second-order Møller–Plesset optimized dihedral angle of biphenyl

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0429-3 ◽

2003 ◽

Vol 109 (5) ◽

pp. 274-277 ◽

Cited By ~ 15

Author(s):

Friedrich Grein

Keyword(s):

Dihedral Angle ◽

Second Order ◽

Polarization Functions ◽

Moller Plesset

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Contracted basis sets for electrical property calculations derived from Second-order Møller-Plesset theory atomic natural orbitals

Theoretical Chemistry Accounts ◽

10.1007/s002140000149 ◽

2000 ◽

Vol 104 (5) ◽

pp. 385-391

Author(s):

Anthony J. Russell ◽

Mark A. Spackman

Keyword(s):

Electrical Property ◽

Second Order ◽

Basis Sets ◽

Natural Orbitals ◽

Atomic Natural Orbitals ◽

Moller Plesset

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