Efficient linear-scaling second-order Møller-Plesset perturbation theory:                The divide–expand–consolidate RI-MP2 model

Pablo Baudin; Patrick Ettenhuber; Simen Reine; Kasper Kristensen; Thomas Kjærgaard

doi:10.1063/1.4940732

Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model

The Journal of Chemical Physics ◽

10.1063/1.4940732 ◽

2016 ◽

Vol 144 (5) ◽

pp. 054102 ◽

Cited By ~ 31

Author(s):

Pablo Baudin ◽

Patrick Ettenhuber ◽

Simen Reine ◽

Kasper Kristensen ◽

Thomas Kjærgaard

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Moller Plesset ◽

Plesset Perturbation Theory

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The relative energies of polypeptide conformers predicted by linear scaling second-order Møller-Plesset perturbation theory

Science China Chemistry ◽

10.1007/s11426-014-5181-0 ◽

2014 ◽

Vol 57 (10) ◽

pp. 1393-1398 ◽

Cited By ~ 9

Author(s):

Yang Guo ◽

Wei Li ◽

DanDan Yuan ◽

ShuHua Li

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Linear Scaling Second Order Møller Plesset Perturbation Theory

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_3 ◽

2011 ◽

pp. 65-82 ◽

Cited By ~ 3

Author(s):

Svein Saebø

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires

Computer Physics Communications ◽

10.1016/j.cpc.2016.11.002 ◽

2017 ◽

Vol 212 ◽

pp. 152-160 ◽

Cited By ~ 7

Author(s):

Thomas Kjærgaard ◽

Pablo Baudin ◽

Dmytro Bykov ◽

Janus Juul Eriksen ◽

Patrick Ettenhuber ◽

...

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Massively Parallel ◽

Linear Scaling ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

The Journal of Chemical Physics ◽

10.1063/1.1564816 ◽

2003 ◽

Vol 118 (18) ◽

pp. 8149-8160 ◽

Cited By ~ 548

Author(s):

Hans-Joachim Werner ◽

Frederick R. Manby ◽

Peter J. Knowles

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Density Fitting ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1321295 ◽

2000 ◽

Vol 113 (21) ◽

pp. 9443-9455 ◽

Cited By ~ 168

Author(s):

Georg Hetzer ◽

Martin Schütz ◽

Hermann Stoll ◽

Hans-Joachim Werner

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Local Correlation ◽

Correlation Methods ◽

Local Correlation Methods ◽

Moller Plesset ◽

Plesset Perturbation Theory ◽

Coulomb Operator ◽

Low Order

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Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria

The Journal of Chemical Physics ◽

10.1063/1.3072903 ◽

2009 ◽

Vol 130 (6) ◽

pp. 064107 ◽

Cited By ~ 109

Author(s):

Bernd Doser ◽

Daniel S. Lambrecht ◽

Jörg Kussmann ◽

Christian Ochsenfeld

Keyword(s):

Perturbation Theory ◽

Atomic Orbital ◽

Second Order ◽

Linear Scaling ◽

Screening Criteria ◽

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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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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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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