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

Terutaka Yoshizawa; Masahiko Hada

doi:10.1002/jcc.21261

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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Electron correlation effects on the static longitudinal second hyperpolarizability of polymeric chains. Mo/ller–Plesset perturbation theory investigation of hydrogen model chains

The Journal of Chemical Physics ◽

10.1063/1.472536 ◽

1996 ◽

Vol 105 (9) ◽

pp. 3592-3603 ◽

Cited By ~ 27

Author(s):

Benoı̂t Champagne ◽

David H. Mosley

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Correlation Effects ◽

Second Hyperpolarizability ◽

Polymeric Chains ◽

Electron Correlation Effects ◽

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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Mo/ller–Plesset perturbation theory for van der Waals complexes bound by electron correlation effects: Ground states of the Ar and Mg dimers

The Journal of Chemical Physics ◽

10.1063/1.453002 ◽

1987 ◽

Vol 87 (6) ◽

pp. 3569-3579 ◽

Cited By ~ 66

Author(s):

Grzegorz Chal/asiński ◽

David J. Funk ◽

Jack Simons ◽

W. H. Breckenridge

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Van Der Waals ◽

Ground States ◽

Van Der Waals Complexes ◽

Correlation Effects ◽

Electron Correlation Effects ◽

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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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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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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NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

The Journal of Chemical Physics ◽

10.1063/1.4744102 ◽

2012 ◽

Vol 137 (8) ◽

pp. 084107 ◽

Cited By ~ 25

Author(s):

Stefan Loibl ◽

Martin Schütz

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Atomic Orbitals ◽

Shielding Tensors ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Vector Processing and Parallel Processing in Many—Body Perturbation Theory Calculations of Electron Correlation Effects in Atoms and Molecules

Supercomputational Science ◽

10.1007/978-1-4684-5820-6_16 ◽

1990 ◽

pp. 201-210 ◽

Cited By ~ 2

Author(s):

D. J. Baker ◽

S. Wilson ◽

D. Moncrieff

Keyword(s):

Perturbation Theory ◽

Parallel Processing ◽

Electron Correlation ◽

Correlation Effects ◽

Many Body ◽

Atoms And Molecules ◽

Vector Processing ◽

Many Body Perturbation Theory ◽

Electron Correlation Effects

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The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

The Journal of Chemical Physics ◽

10.1063/1.4956454 ◽

2016 ◽

Vol 145 (2) ◽

pp. 024106 ◽

Cited By ~ 15

Author(s):

Dmytro Bykov ◽

Kasper Kristensen ◽

Thomas Kjærgaard

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Resolution Of The Identity ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Exploring the Properties of H 2 O@C 60 with the Local Second‐Order Møller‐Plesset Perturbation Theory: Blue or Red Shift in C 60 and H 2 O Fundamentals to Expect?

ChemistrySelect ◽

10.1002/slct.202103004 ◽

2021 ◽

Vol 6 (42) ◽

pp. 11583-11590

Author(s):

Grygoriy A. Dolgonos

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Red Shift ◽

Moller Plesset ◽

Plesset Perturbation Theory

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