Results 291 to 300 of about 493,106 (301)

Kohn-Sham perturbation theory: Simple solution to variational instability of second order correlation energy functional

Journal of Chemical Physics, 2006
Hong Jiang
exaly  

Dispersion-corrected Møller–Plesset second-order perturbation theory

Journal of Chemical Physics, 2009
Alexandre Tkatchenko, Robert A Distasio Jr, Martin Head-Gordon   +2 more
exaly  

Analytical energy gradients for internally contracted second-order multireference perturbation theory

Journal of Chemical Physics, 2003
Hans-Joachim Werner
exaly  

Numerical Solution of a Second Order Singularly Perturbed Differential Equations with Mixed Shift Arguments

Dany Joy, Dinesh Kumar S, Fathalla A. Rihan   +2 more
openaire   +1 more source

Second‐order Mo/ller–Plesset perturbation theory as a configuration and orbital generator in multiconfiguration self‐consistent field calculations

Journal of Chemical Physics, 1988
Poul Jørgensen, Hans Ågren, Jeppe Olsen   +2 more
exaly  

Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory

Journal of Chemical Physics, 2017
Yann Garniron, Anthony Scemama, Pierre-Francois Loos   +2 more
exaly  

Periodic solution and stationary distribution of stochastic SIR epidemic models with higher order perturbation

Physica A: Statistical Mechanics and Its Applications, 2017
Qun Liu, daqing Jiang, Bashir Ahmad
exaly  

Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory

Journal of Chemical Physics, 2000
Martin Schütz, Hans-Joachim Werner
exaly  

Analytical energy gradients for local second-order Møller–Plesset perturbation theory using density fitting approximations

Journal of Chemical Physics, 2004
Martin Schütz, Hans-Joachim Werner, Roland H Lindh   +2 more
exaly  

Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures

Journal of Chemical Physics, 2004
exaly