Showing results (21-30 of 87) with videos related to
Sort By:
Pageof 9
The Journal of Chemical Physics|July 21, 2004
Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementationEdward F Valeev, Curtis L JanssenThe Journal of Chemical Physics|September 28, 2013
Computing molecular correlation energies with guaranteed precisionFlorian A Bischoff, Edward F ValeevThe Journal of Chemical Physics|July 8, 2008
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 modelEdward F Valeev, T Daniel CrawfordJournal of Chemical Theory and Computation|October 25, 2025
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis SetsKshitijkumar A Surjuse, Edward F ValeevThe Journal of Chemical Physics|March 17, 2011
Low-order tensor approximations for electronic wave functions: Hartree-Fock method with guaranteed precisionFlorian A Bischoff, Edward F ValeevThe Journal of Chemical Physics|August 7, 2009
Explicitly correlated combined coupled-cluster and perturbation methodsToru Shiozaki, Edward F Valeev, So HirataThe Journal of Chemical Physics|August 10, 2014
Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simpleFabijan Pavošević, Frank Neese, Edward F ValeevThe Journal of Chemical Physics|September 6, 2020
Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atomsAshutosh Kumar, Frank Neese, Edward F ValeevThe Journal of Chemical Physics|August 6, 2020
Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structureChong Peng, Cannada A Lewis, Xiao Wang, et al.Journal of Chemical Theory and Computation|March 29, 2021
Robust Approximation of Tensor Networks: Application to Grid-Free Tensor Factorization of the Coulomb InteractionKarl Pierce, Varun Rishi, Edward F ValeevPageof 9