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

Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations

2006 ◽  
Vol 125 (7) ◽  
pp. 074108 ◽  
Author(s):  
Ryan P. Steele ◽  
Robert A. DiStasio ◽  
Yihan Shao ◽  
Jing Kong ◽  
Martin Head-Gordon
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Dual Basis ◽  
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
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