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Journal of Chemical Theory and Computation|November 5, 2021
Robust Pipek-Mezey Orbital Localization in Periodic SolidsMarjory C Clement, Xiao Wang, Edward F ValeevJournal of Chemical Theory and Computation|September 26, 2018
State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-ClusterChong Peng, Marjory C Clement, Edward F ValeevJournal of Chemical Theory and Computation|August 3, 2018
Optimized Pair Natural Orbitals for the Coupled Cluster MethodsMarjory C Clement, Jinmei Zhang, Cannada A Lewis, et al.The Journal of Chemical Physics|October 2, 2020
Efficient evaluation of exact exchange for periodic systems via concentric atomic density fittingXiao Wang, Cannada A Lewis, Edward F ValeevPhysical Chemistry Chemical Physics : PCCP|December 14, 2007
Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigationEdward F ValeevThe Journal of Chemical Physics|January 4, 2007
Combining explicitly correlated R12 and Gaussian geminal electronic structure theoriesEdward 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.The Journal of Physical Chemistry. A|October 13, 2025
Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD ProcessorsAndrey Asadchev, Edward F ValeevPhysical Chemistry Chemical Physics : PCCP|May 8, 2012
Hybrid one-electron/many-electron methods for ionized states of molecular clustersJinmei Zhang, Edward F ValeevThe Journal of Chemical Physics|June 27, 2024
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processorsAndrey Asadchev, Edward F ValeevPageof 645