Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

The Journal of Chemical Physics ◽

10.1063/1.4951696 ◽

2016 ◽

Vol 144 (20) ◽

pp. 204112 ◽

Author(s):

Yang Min Wang ◽

Christof Hättig ◽

Simen Reine ◽

Edward Valeev ◽

Thomas Kjærgaard ◽

...

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

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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Local explicitly correlated second-order Møller–Plesset perturbation theory with pair natural orbitals

The Journal of Chemical Physics ◽

10.1063/1.3624370 ◽

2011 ◽

Vol 135 (7) ◽

pp. 074107 ◽

Author(s):

David P. Tew ◽

Benjamin Helmich ◽

Christof Hättig

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Natural Orbitals ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Explicitly correlated second-order Møller-Plesset perturbation theory employing pseudospectral numerical quadratures

The Journal of Chemical Physics ◽

10.1063/1.4719037 ◽

2012 ◽

Vol 136 (20) ◽

pp. 204110 ◽

Author(s):

Denis Bokhan ◽

Dmitrii N. Trubnikov

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory ◽

Numerical Quadratures

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Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.5003065 ◽

2017 ◽

Vol 147 (21) ◽

pp. 214101 ◽

Author(s):

Werner Győrffy ◽

Gerald Knizia ◽

Hans-Joachim Werner

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Wave Functions ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Explicitly correlated second-order Møller–Plesset perturbation theory for unrestricted Hartree–Fock reference functions with exact satisfaction of cusp conditions

The Journal of Chemical Physics ◽

10.1063/1.3212884 ◽

2009 ◽

Vol 131 (8) ◽

pp. 084105 ◽

Author(s):

Denis Bokhan ◽

Stephan Bernadotte ◽

Seiichiro Ten-no

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Hartree Fock ◽

Explicitly Correlated ◽

Cusp Conditions ◽

Moller Plesset ◽

Plesset Perturbation Theory ◽

Reference Functions

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Eliminating the domain error in local explicitly correlated second-order Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2982419 ◽

2008 ◽

Vol 129 (10) ◽

pp. 101103 ◽

Author(s):

Hans-Joachim Werner

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Communication: Explicitly correlated four-component relativistic second-order Møller-Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4757415 ◽

2012 ◽

Vol 137 (13) ◽

pp. 131101 ◽

Author(s):

Seiichiro Ten-no ◽

Daisuke Yamaki

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 ◽

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 ◽

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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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 ◽

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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