Coupled Cluster and Møller–Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions

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

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 ◽

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 ◽

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

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 ◽

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

10.1063/1.3631129 ◽

2011 ◽

Vol 135 (10) ◽

pp. 104103 ◽

Cited By ~ 73

Author(s):

Uğur Bozkaya ◽

Justin M. Turney ◽

Yukio Yamaguchi ◽

Henry F. Schaefer ◽

C. David Sherrill

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Coupled Cluster ◽

Orbital Optimization ◽

Moller Plesset ◽

Convergent Algorithm ◽

Shared memory multiprocessing implementation of resolution-of-the-identity second-order Møller–Plesset perturbation theory with attenuated and unattenuated results for intermolecular interactions between large molecules

Molecular Physics ◽

10.1080/00268976.2013.869363 ◽

2014 ◽

Vol 112 (5-6) ◽

pp. 836-843 ◽

Cited By ~ 9

Author(s):

Matthew Goldey ◽

Robert A. DiStasio, ◽

Yihan Shao ◽

Martin Head-Gordon

Keyword(s):

Perturbation Theory ◽

Shared Memory ◽

Intermolecular Interactions ◽

Second Order ◽

Large Molecules ◽

Resolution Of The Identity ◽

Moller Plesset ◽

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 ◽

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

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 ◽

Double-substitution-based diagnostics for coupled-cluster and Møller–Plesset perturbation theory

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00770-8 ◽

1999 ◽

Vol 310 (5-6) ◽

pp. 568-576 ◽

Cited By ~ 50

Author(s):

Ida M.Beck Nielsen ◽

Curtis L. Janssen

Keyword(s):

Perturbation Theory ◽

Coupled Cluster ◽

Double Substitution ◽

Moller Plesset ◽

The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory

10.1063/1.3667266 ◽

2012 ◽

Vol 136 (1) ◽

pp. 014105 ◽

Cited By ~ 67

Author(s):

Ida-Marie Høyvik ◽

Kasper Kristensen ◽

Branislav Jansik ◽

Poul Jørgensen

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Coupled Cluster ◽

Coupled Cluster Methods ◽

Moller Plesset ◽

Cluster Methods ◽

Methods Numerical ◽

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

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 ◽