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Journal of Chemical Theory and Computation|January 4, 2018
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham TheoryDaniel J Sharpe, Mel Levy, David J TozerThe Journal of Chemical Physics|September 11, 2009
Excited state surfaces in density functional theory: a new twist on an old problemPaul Wiggins, J A Gareth Williams, David J TozerThe Journal of Chemical Physics|March 3, 2007
Transition metal NMR chemical shifts from optimized effective potentialsAndrew M Teale, Aron J Cohen, David J TozerJournal of Chemical Theory and Computation|September 14, 2016
Range-Separation Parameter in Tuned Exchange-Correlation Functionals: Successive Ionizations and the Fukui FunctionJonathan D Gledhill, Frank De Proft, David J TozerThe Journal of Chemical Physics|June 15, 2007
Evaluation of in density functional theoryAron J Cohen, David J Tozer, Nicholas C HandyThe Journal of Chemical Physics|August 7, 2008
Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuityAndrew M Teale, Frank De Proft, David J TozerThe Journal of Physical Chemistry. A|June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional TheoryJack T Taylor, David J Tozer, Basile F E CurchodPhysical Chemistry Chemical Physics : PCCP|October 19, 2006
Influence of Coulomb-attenuation on exchange-correlation functional qualityMichael J G Peach, Aron J Cohen, David J TozerJournal of Chemical Theory and Computation|November 25, 2015
Influence of Triplet Instabilities in TDDFTMichael J G Peach, Matthew J Williamson, David J TozerPhysical Chemistry Chemical Physics : PCCP|November 9, 2007
On the position of the potential wall in DFT temporary anion calculationsNick Sablon, Frank De Proft, Paul Geerlings, et al.Pageof 7