Distributed memory parallel implementation of energies and gradients for second-order Møller–Plesset perturbation theory with the resolution-of-the-identity approximation

2006 ◽  
Vol 8 (10) ◽  
pp. 1159 ◽  
Author(s):  
Christof Hättig ◽  
Arnim Hellweg ◽  
Andreas Köhn
Keyword(s):  
Perturbation Theory ◽  
Distributed Memory ◽  
Parallel Implementation ◽  
Second Order ◽  
Resolution Of The Identity ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

A Kinetic Energy Fitting Metric for Resolution of the Identity Second-Order Møller−Plesset Perturbation Theory

2011 ◽  
Vol 115 (13) ◽  
pp. 2794-2801 ◽  
Author(s):  
Daniel S. Lambrecht ◽  
Kai Brandhorst ◽  
William H. Miller ◽  
C. William McCurdy ◽  
Martin Head-Gordon
Keyword(s):  
Perturbation Theory ◽  
Kinetic Energy ◽  
Second Order ◽  
Resolution Of The Identity ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

The analytical gradient of dual-basis resolution-of-the-identity second-order Møller–Plesset perturbation theory

2007 ◽  
Vol 105 (19-22) ◽  
pp. 2731-2742 ◽  
Author(s):  
Robert A. Distasio ◽  
Ryan P. Steele ◽  
Martin Head-Gordon
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Dual Basis ◽  
Resolution Of The Identity ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

scholarly journals A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory

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
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