Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

2017 ◽  
Vol 147 (21) ◽  
pp. 214101 ◽  
Author(s):  
Werner Győrffy ◽  
Gerald Knizia ◽  
Hans-Joachim Werner
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Wave Functions ◽  
Explicitly Correlated ◽  
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
Sign in / Sign up

Export Citation Format

Share Document