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Journal of Chemical Theory and Computation|January 3, 2022
Incorporation of the Fermi-Amaldi Term into Direct Energy Kohn-Sham CalculationsDaisy J Dillon, David J TozerThe Journal of Chemical Physics|December 22, 2023
Effective homogeneity of Fermi-Amaldi-containing exchange-correlation functionalsDavid J TozerJournal of Chemical Theory and Computation|November 20, 2015
Density Scaling of Noninteracting Kinetic Energy FunctionalsAlex Borgoo, David J TozerThe Journal of Physical Chemistry. A|May 17, 2012
Negative electron affinities from DFT: influence of asymptotic exchange-correlation potential and effective homogeneity under density scalingAlex Borgoo, David J TozerThe Journal of Chemical Physics|September 16, 2004
A semiempirical generalized gradient approximation exchange-correlation functionalThomas W Keal, David J TozerJournal of Chemical Theory and Computation|November 30, 2018
Simple DFT Scheme for Estimating Negative Electron AffinitiesChristopher P Vibert, David J TozerPhysical Chemistry Chemical Physics : PCCP|May 8, 2010
Effect of chemical change on TDDFT accuracy: orbital overlap perspective of the hydrogenation of retinalAustin D Dwyer, David J TozerThe Journal of Chemical Physics|July 17, 2015
System-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ - IJonathan D Gledhill, David J TozerThe Journal of Chemical Physics|March 3, 2005
Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theoryAndrew M Teale, David J TozerThe Journal of Physical Chemistry. A|July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theoryDavid J Tozer, Frank De ProftPageof 6