Showing results (41-50 of 115) with videos related to
Sort By:
Pageof 12
The Journal of Chemical Physics|February 16, 2015
Accurate thermochemistry from explicitly correlated distinguishable cluster approximationDaniel Kats, David Kreplin, Hans-Joachim Werner, et al.Physical Chemistry Chemical Physics : PCCP|September 29, 2005
Analysis of the errors in explicitly correlated electronic structure theoryAndrew J May, Edward Valeev, Robert Polly, et al.Journal of Chemical Theory and Computation|December 2, 2015
Massively Multicore Parallelization of Kohn-Sham TheoryPhilip Brown, Christopher Woods, Simon McIntosh-Smith, et al.The Journal of Chemical Physics|June 22, 2007
Ab initio design of picosecond infrared laser pulses for controlling vibrational-rotational excitation of CO moleculesThomas Herrmann, Qinghua Ren, Gabriel G Balint-Kurti, et al.The Journal of Chemical Physics|September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theoryJason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.Physical Chemistry Chemical Physics : PCCP|March 26, 2013
Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes methodPatrick Meier, Greg Bellchambers, Julian Klepp, et al.The Journal of Chemical Physics|July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis setSimon J Bennie, Martina Stella, Thomas F Miller, et al.Physical Review Letters|August 16, 2006
Analytical control of molecular excitations including strong field polarization effectsShiyang Zou, Qinghua Ren, Gabriel G Balint-Kurti, et al.The Journal of Chemical Physics|April 3, 2012
Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theoryYuki Kurashige, Jun Yang, Garnet K-L Chan, et al.The Journal of Chemical Physics|February 2, 2011
Tensor factorizations of local second-order Møller-Plesset theoryJun Yang, Yuki Kurashige, Frederick R Manby, et al.Pageof 12