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

Uğur Bozkaya

doi:10.1021/ct500231c

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

Download Full-text

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

Download Full-text

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

Download Full-text

Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)

Journal of Chemical Theory and Computation ◽

10.1021/ct700263h ◽

2008 ◽

Vol 4 (5) ◽

pp. 694-702 ◽

Cited By ~ 269

Author(s):

Francesco Aquilante ◽

Per-Åke Malmqvist ◽

Thomas Bondo Pedersen ◽

Abhik Ghosh ◽

Björn Olof Roos

Keyword(s):

Perturbation Theory ◽

Spin State ◽

Cholesky Decomposition ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

Download Full-text

Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second‐Order Perturbation Theory

The Astrophysical Journal ◽

10.1086/345521 ◽

2003 ◽

Vol 584 (1) ◽

pp. 1-33 ◽

Cited By ~ 93

Author(s):

Takahiko Matsubara

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

Download Full-text

Second-Order Perturbation Theory

Nuclear Science and Engineering ◽

10.13182/nse79-a19658 ◽

1979 ◽

Vol 70 (2) ◽

pp. 215-215

Author(s):

K. W. Burn

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

Download Full-text

Second-order perturbation theory for scattering from heterogeneous rough surfaces

Journal of the Optical Society of America A ◽

10.1364/josaa.21.001251 ◽

2004 ◽

Vol 21 (7) ◽

pp. 1251 ◽

Cited By ~ 14

Author(s):

Charles-Antoine Guérin ◽

Anne Sentenac

Keyword(s):

Perturbation Theory ◽

Rough Surfaces ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

Download Full-text

Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2978171 ◽

2008 ◽

Vol 129 (12) ◽

pp. 124109 ◽

Cited By ~ 15

Author(s):

Igor V. Schweigert ◽

Rodney J. Bartlett

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Dependent Correlation ◽

Second Order Perturbation Theory

Download Full-text

Second Order Perturbation Theory for a Superconducting Double Quantum Dot

Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2019) ◽

10.7566/jpscp.30.011002 ◽

2020 ◽

Cited By ~ 1

Author(s):

Vladislav Pokorný ◽

Martin Žonda ◽

Georgios Loukeris ◽

Tomáš Novotný

Keyword(s):

Perturbation Theory ◽

Quantum Dot ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Double Quantum ◽

Double Quantum Dot ◽

Second Order Perturbation Theory

Download Full-text

Second‐Order Perturbation Theory in Atomic and Molecular Quantum Mechanics (Application to the Electric Dipole and Quadrupole Polarizabilities and Shielding Factors of the Beryllium Atom)

The Journal of Chemical Physics ◽

10.1063/1.1725349 ◽

1964 ◽

Vol 40 (6) ◽

pp. 1478-1485 ◽

Cited By ~ 41

Author(s):

Hugh P. Kelly ◽

Howard S. Taylor

Keyword(s):

Perturbation Theory ◽

Quantum Mechanics ◽

Electric Dipole ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Molecular Quantum Mechanics ◽

Second Order Perturbation Theory

Download Full-text

The role of atomic excited states of Au on N2O capture and activation: A multireference second-order perturbation theory study

The Journal of Chemical Physics ◽

10.1063/1.3521269 ◽

2010 ◽

Vol 133 (24) ◽

pp. 244306 ◽

Cited By ~ 4

Author(s):

Oscar Olvera-Neria ◽

Virineya Bertin ◽

Enrique Poulain

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

Download Full-text