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The Journal of Chemical Physics|September 29, 2011
Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potentialIreneusz Grabowski, Andrew M Teale, Szymon Śmiga, et al.The Journal of Chemical Physics|January 9, 2025
Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy functionAndreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, et al.The Journal of Chemical Physics|July 13, 2005
Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phaseAntonio Rizzo, Chiara Cappelli, Branislav Jansík, et al.The Journal of Chemical Physics|April 28, 2007
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theorySonia Coriani, Stinne Høst, Branislav Jansík, et al.The 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 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 <S2> in density functional theoryAron J Cohen, David J Tozer, Nicholas C HandyScience Advances|April 24, 2024
A variational reformulation of molecular properties in electronic-structure theoryPoul Jørgensen, Jeppe Olsen, Magnus Bukhave Johansen, et al.The 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 TozerPageof 18