Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations
引用本文:
Schütz M,Werner HJ,Lindh R,Manby FR.Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations[J].The Journal of chemical physics,2004,121(2):737-750.