Showing results (11-20 of 83) with videos related to
Sort By:
Pageof 9
The Journal of Physical Chemistry. A|December 13, 2023
High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated ProcessorsAndrey Asadchev, Edward F ValeevJournal of Chemical Theory and Computation|November 26, 2015
Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?Frank Neese, Edward F ValeevThe Journal of Chemical Physics|November 10, 2009
Universal perturbative explicitly correlated basis set incompleteness correctionMartin Torheyden, Edward F ValeevPhysical Chemistry Chemical Physics : PCCP|June 7, 2008
Variational formulation of perturbative explicitly-correlated coupled-cluster methodsMartin Torheyden, Edward F ValeevJournal of Chemical Theory and Computation|March 14, 2023
Memory-Efficient Recursive Evaluation of 3-Center Gaussian IntegralsAndrey Asadchev, Edward F ValeevJournal of Chemical Theory and Computation|December 9, 2022
Efficient Construction of Canonical Polyadic Approximations of Tensor NetworksKarl Pierce, Edward F ValeevThe Journal of Chemical Physics|November 9, 2010
Perturbative correction for the basis set incompleteness error of complete-active-space self-consistent fieldLiguo Kong, Edward F ValeevThe Journal of Chemical Physics|June 14, 2011
A novel interpretation of reduced density matrix and cumulant for electronic structure theoriesLiguo Kong, Edward F ValeevThe Journal of Chemical Physics|December 14, 2011
SF-[2]R12: a spin-adapted explicitly correlated method applicable to arbitrary electronic statesLiguo Kong, Edward F ValeevJournal of Chemical Theory and Computation|November 26, 2015
Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set AssessmentJinmei Zhang, Edward F ValeevPageof 9