Showing results (41-50 of 87) with videos related to
Sort By:
Pageof 9
Journal of the American Chemical Society|September 5, 2002
Estimates of the ab initio limit for pi-pi interactions: the benzene dimerMutasem Omar Sinnokrot, Edward F Valeev, C David SherrillThe Journal of Chemical Physics|April 24, 2015
A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functionsDavid S Hollman, Henry F Schaefer, Edward F ValeevJournal of Chemical Theory and Computation|December 1, 2015
Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide YGungor Ozer, Edward F Valeev, Stephen Quirk, et al.The Journal of Chemical Physics|August 17, 2017
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)Yang Guo, Kantharuban Sivalingam, Edward F Valeev, et al.Physical Chemistry Chemical Physics : PCCP|June 7, 2008
Equations of explicitly-correlated coupled-cluster methodsToru Shiozaki, Muneaki Kamiya, So Hirata, et al.The Journal of Chemical Physics|February 18, 2014
Semi-exact concentric atomic density fitting: reduced cost and increased accuracy compared to standard density fittingDavid S Hollman, Henry F Schaefer, Edward F ValeevJournal of Chemical Theory and Computation|July 31, 2024
Revisiting Artifacts of Kohn-Sham Density Functionals for BiosimulationSamuel A Slattery, Jaden C Yon, Edward F ValeevThe Journal of Chemical Physics|July 24, 2015
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitalsPeter Pinski, Christoph Riplinger, Edward F Valeev, et al.The Journal of Chemical Physics|February 12, 2009
Higher-order explicitly correlated coupled-cluster methodsToru Shiozaki, Muneaki Kamiya, So Hirata, et al.The Journal of Chemical Physics|February 24, 2020
Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller-Plesset energyJakob S Kottmann, Florian A Bischoff, Edward F ValeevPageof 9