Explicitly correlated second-order perturbation theory using density fitting and local approximations

Hans-Joachim Werner; Frederick R. Manby

doi:10.1063/1.2150817

Explicitly correlated second-order perturbation theory using density fitting and local approximations

The Journal of Chemical Physics ◽

10.1063/1.2150817 ◽

2006 ◽

Vol 124 (5) ◽

pp. 054114 ◽

Cited By ~ 119

Author(s):

Hans-Joachim Werner ◽

Frederick R. Manby

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Local Approximations ◽

Density Fitting ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements

Theoretical Chemistry Accounts ◽

10.1007/s00214-008-0441-8 ◽

2008 ◽

Vol 121 (1-2) ◽

pp. 11-19 ◽

Cited By ~ 26

Author(s):

Florian A. Bischoff ◽

Sebastian Höfener ◽

Andreas Glöß ◽

Wim Klopper

Keyword(s):

Perturbation Theory ◽

Main Group ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Main Group Elements ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor

The Journal of Chemical Physics ◽

10.1063/1.2173247 ◽

2006 ◽

Vol 124 (9) ◽

pp. 094103 ◽

Cited By ~ 115

Author(s):

Frederick R. Manby ◽

Hans-Joachim Werner ◽

Thomas B. Adler ◽

Andrew J. May

Keyword(s):

Perturbation Theory ◽

Correlation Factor ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: An Efficient Implementation

Journal of Chemical Theory and Computation ◽

10.1021/ct500231c ◽

2014 ◽

Vol 10 (6) ◽

pp. 2371-2378 ◽

Cited By ~ 32

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Cholesky Decomposition ◽

Efficient Implementation ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Fitting ◽

Second Order Perturbation Theory

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Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation

Journal of Chemical Theory and Computation ◽

10.1021/ct500634s ◽

2014 ◽

Vol 10 (10) ◽

pp. 4389-4399 ◽

Cited By ~ 20

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Efficient Implementation ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Fitting ◽

Second Order Perturbation Theory

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Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules

The Journal of Chemical Physics ◽

10.1063/1.3040174 ◽

2009 ◽

Vol 130 (5) ◽

pp. 054106 ◽

Cited By ~ 140

Author(s):

Thomas B. Adler ◽

Hans-Joachim Werner ◽

Frederick R. Manby

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Large Molecules ◽

Explicitly Correlated ◽

Accurate Treatment ◽

Second Order Perturbation Theory

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Explicitly Correlated Second Order Perturbation Theory with Frozen Gaussian-Type Geminals

Lecture Notes in Computer Science - Computational Science — ICCS 2003 ◽

10.1007/3-540-44864-0_16 ◽

2003 ◽

pp. 152-158 ◽

Cited By ~ 3

Author(s):

Seiichiro Ten-no

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Gaussian Type ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Interference-corrected explicitly-correlated second-order perturbation theory

Chemical Physics Letters ◽

10.1016/j.cplett.2010.12.065 ◽

2011 ◽

Vol 503 (1-3) ◽

pp. 157-161 ◽

Cited By ~ 19

Author(s):

Konstantinos D. Vogiatzis ◽

Ericka C. Barnes ◽

Wim Klopper

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory

Highlights in Theoretical Chemistry - Thom H. Dunning, Jr. ◽

10.1007/978-3-662-47051-0_23 ◽

2014 ◽

pp. 255-266

Author(s):

Konstantinos D. Vogiatzis ◽

Robin Haunschild ◽

Wim Klopper

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Coupled Cluster ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory

Theoretical Chemistry Accounts ◽

10.1007/s00214-014-1446-0 ◽

2014 ◽

Vol 133 (3) ◽

Cited By ~ 23

Author(s):

Konstantinos D. Vogiatzis ◽

Robin Haunschild ◽

Wim Klopper

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Coupled Cluster ◽

Explicitly Correlated ◽

Second Order Perturbation Theory

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Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures

The Journal of Chemical Physics ◽

10.1063/1.1757439 ◽

2004 ◽

Vol 121 (1) ◽

pp. 117 ◽

Cited By ~ 215

Author(s):

Seiichiro Ten-no

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Explicitly Correlated ◽

Numerical Quadratures ◽

Second Order Perturbation Theory

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