Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

Edward G. Hohenstein; Robert M. Parrish; Todd J. Martínez

doi:10.1063/1.4732310

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4732310 ◽

2012 ◽

Vol 137 (4) ◽

pp. 044103 ◽

Cited By ~ 142

Author(s):

Edward G. Hohenstein ◽

Robert M. Parrish ◽

Todd J. Martínez

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Density Fitting ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller–Plesset Perturbation Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00820 ◽

2019 ◽

Vol 16 (1) ◽

pp. 243-263 ◽

Cited By ~ 8

Author(s):

Joonho Lee ◽

Lin Lin ◽

Martin Head-Gordon

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Density Fitting ◽

Exact Exchange ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Erratum: Multipartitioning Møller-Plesset perturbation theory: Size-extensivity at third order and symmetry conservation

International Journal of Quantum Chemistry ◽

10.1002/qua.22677 ◽

2010 ◽

Vol 111 (14) ◽

pp. 3992-3992

Author(s):

Zoltán Rolik ◽

Ágnes Szabados

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Size Extensivity ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Multipartitioning Møller-Plesset perturbation theory: Size-extensivity at third order and symmetry conservation

International Journal of Quantum Chemistry ◽

10.1002/qua.22059 ◽

2009 ◽

Vol 109 (11) ◽

pp. 2554-2563 ◽

Cited By ~ 5

Author(s):

Zoltán Rolik ◽

Ágnes Szabados

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Size Extensivity ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems

The Journal of Chemical Physics ◽

10.1063/1.3665134 ◽

2011 ◽

Vol 135 (22) ◽

pp. 224103 ◽

Cited By ~ 44

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Symmetry Breaking ◽

Spin Component ◽

Third Order ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Analytical energy gradients for local second-order Møller–Plesset perturbation theory using density fitting approximations

The Journal of Chemical Physics ◽

10.1063/1.1760747 ◽

2004 ◽

Vol 121 (2) ◽

pp. 737-750 ◽

Cited By ~ 185

Author(s):

Martin Schütz ◽

Hans-Joachim Werner ◽

Roland Lindh ◽

Frederick R. Manby

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Density Fitting ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: Correlation consistent basis sets for the 5d elements Hf-Pt

The Journal of Chemical Physics ◽

10.1063/1.3615062 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044105 ◽

Cited By ~ 15

Author(s):

J. Grant Hill

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Sets ◽

Density Fitting ◽

Correlation Consistent ◽

Consistent Basis ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Assessment of Orbital-Optimized Third-Order Møller–Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics

Journal of Chemical Theory and Computation ◽

10.1021/ct301078q ◽

2013 ◽

Vol 9 (3) ◽

pp. 1452-1460 ◽

Cited By ~ 25

Author(s):

Emine Soydaş ◽

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Spin Component ◽

Third Order ◽

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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Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: Weighted core-valence correlation consistent basis sets for the 4delements Y-Pd

Journal of Computational Chemistry ◽

10.1002/jcc.23372 ◽

2013 ◽

Vol 34 (25) ◽

pp. 2168-2177 ◽

Cited By ~ 6

Author(s):

J. Grant Hill

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Sets ◽

Density Fitting ◽

Correlation Consistent ◽

Consistent Basis ◽

Moller Plesset ◽

Plesset Perturbation Theory

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

The Journal of Chemical Physics ◽

10.1063/1.4719981 ◽

2012 ◽

Vol 136 (20) ◽

pp. 204105 ◽

Cited By ~ 75

Author(s):

Christof Hättig ◽

David P. Tew ◽

Benjamin Helmich

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Natural Orbitals ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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