Local Møller−Plesset Perturbation Theory:  A Massively Parallel Algorithm

Ida M. B. Nielsen; Curtis L. Janssen

doi:10.1021/ct600188k

Local Møller−Plesset Perturbation Theory: A Massively Parallel Algorithm

Journal of Chemical Theory and Computation ◽

10.1021/ct600188k ◽

2006 ◽

Vol 3 (1) ◽

pp. 71-79 ◽

Cited By ~ 18

Author(s):

Ida M. B. Nielsen ◽

Curtis L. Janssen

Keyword(s):

Perturbation Theory ◽

Parallel Algorithm ◽

Massively Parallel ◽

Moller Plesset ◽

Plesset Perturbation Theory

Efficient parallel algorithm of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation (RI-MP2)

International Journal of Quantum Chemistry ◽

10.1002/qua.22068 ◽

2009 ◽

Vol 109 (10) ◽

pp. 2121-2130 ◽

Cited By ~ 52

Author(s):

Michio Katouda ◽

Shigeru Nagase

Keyword(s):

Perturbation Theory ◽

Parallel Algorithm ◽

Second Order ◽

Moller Plesset ◽

Plesset Perturbation Theory

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

Second-Order Møller–Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach

Journal of Chemical Theory and Computation ◽

10.1021/ct300531w ◽

2012 ◽

Vol 8 (11) ◽

pp. 4177-4188 ◽

Cited By ~ 91

Author(s):

Mauro Del Ben ◽

Jürg Hutter ◽

Joost VandeVondele

Keyword(s):

Perturbation Theory ◽

Condensed Phase ◽

Plane Waves ◽

Second Order ◽

Massively Parallel ◽

Moller Plesset ◽

Plesset Perturbation Theory

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

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

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

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

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

Theoretical Study on Electronic and Spin Structures of [Fe2S2]2+,+Cluster: Reference Interaction Site Model Self-Consistent Field (RISM-SCF) and Multireference Second-Order Møller−Plesset Perturbation Theory (MRMP) Approach

The Journal of Physical Chemistry A ◽

10.1021/jp0581429 ◽

2005 ◽

Vol 109 (43) ◽

pp. 9867-9874 ◽

Cited By ~ 11

Author(s):

Masahiro Higashi ◽

Shigeki Kato

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Spin Structures ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Moller Plesset ◽

Plesset Perturbation Theory

Static hyperpolarisabilities and polarisabilities for Be: a fourth-order Moller-Plesset perturbation theory calculation

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/21/23/004 ◽

1988 ◽

Vol 21 (23) ◽

pp. 3819-3831 ◽

Cited By ~ 42

Author(s):

G Maroulis ◽

A J Thakkar

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Moller Plesset ◽

Theory Calculation ◽

Plesset Perturbation Theory