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The Journal of Chemical Physics|November 17, 2019
Range-separation and the multiple radii functional approximation inspired by the strongly interacting limit of density functional theoryTim Gould, Stefan VuckovicJournal of Chemical Theory and Computation|June 16, 2025
"Slim" Benchmark Sets for Faster Method DevelopmentTim Gould, Stefan VuckovicJournal of Chemical Theory and Computation|August 21, 2019
Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital OccupationsMaria Hellgren, Tim GouldThe Journal of Chemical Physics|March 9, 2021
Ensemble generalized Kohn-Sham theory: The good, the bad, and the uglyTim Gould, Leeor KronikJournal of Chemical Theory and Computation|June 16, 2016
C6 Coefficients and Dipole Polarizabilities for All Atoms and Many Ions in Rows 1-6 of the Periodic TableTim Gould, Tomáš BučkoPhysical Review Letters|October 11, 2024
Electron Localization Function for Noncollinear SpinsJacques K Desmarais, Giovanni Vignale, Kamel Bencheikh, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 4, 2012
Calculation of dispersion energiesJohn F Dobson, Tim GouldPhysical Chemistry Chemical Physics : PCCP|March 4, 2022
Poisoning density functional theory with benchmark sets of difficult systemsTim Gould, Stephen G DaleThe Journal of Chemical Physics|January 10, 2013
The flexible nature of exchange, correlation, and Hartree physics: resolving "delocalization" errors in a "correlation free" density functionalTim Gould, John F DobsonPageof 8