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The Journal of Chemical Physics|June 16, 2014
Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systemsSimon A Maurer, Lucien Clin, Christian Ochsenfeld
The Journal of Chemical Physics|December 11, 2013
Linear-scaling symmetry-adapted perturbation theory with scaled dispersionSimon A Maurer, Matthias Beer, Daniel S Lambrecht, et al.
The Journal of Chemical Physics|January 10, 2013
Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theorySimon A Maurer, Daniel S Lambrecht, Jörg Kussmann, et al.
The Journal of Chemical Physics|April 17, 2012
Distance-dependent Schwarz-based integral estimates for two-electron integrals: reliable tightness vs. rigorous upper boundsSimon A Maurer, Daniel S Lambrecht, Denis Flaig, et al.
The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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