Analytic calculation of first-order molecular properties at the explicitly correlated second-order Møller–Plesset level: Basis-set limits for the molecular quadrupole moments of BH and HF

2005 ◽  
Vol 122 (21) ◽  
pp. 214306 ◽  
Author(s):  
Elena Kordel ◽  
Cristian Villani ◽  
Wim Klopper
Keyword(s):  
Second Order ◽  
Molecular Properties ◽  
Basis Set ◽  
Analytic Calculation ◽  
Quadrupole Moments ◽  
First Order ◽  
Explicitly Correlated ◽  
Moller Plesset

Complete basis set limits of local second-order Møller–Plesset perturbation theory

2013 ◽  
Vol 111 (9-11) ◽  
pp. 1178-1189
Author(s):  
Kameron R. Jorgensen ◽  
Vinay V. Ramasesh ◽  
Sonja Hannibal ◽  
Nathan J. DeYonker ◽  
Angela K. Wilson
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Basis Set ◽  
Complete Basis ◽  
Complete Basis Set ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

scholarly journals Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

2016 ◽  
Vol 144 (20) ◽  
pp. 204112 ◽  
Author(s):  
Yang Min Wang ◽  
Christof Hättig ◽  
Simen Reine ◽  
Edward Valeev ◽  
Thomas Kjærgaard ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Explicitly Correlated ◽  
Moller Plesset ◽  
Plesset Perturbation Theory
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