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The 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 Chemical Physics|March 3, 2007
Transition metal NMR chemical shifts from optimized effective potentialsAndrew M Teale, Aron J Cohen, David J TozerThe Journal of Chemical Physics|September 7, 2013
Communication: Analytic gradients in the random-phase approximationJohannes Rekkedal, Sonia Coriani, Maria Francesca Iozzi, et al.The Journal of Physical Chemistry. A|October 30, 2007
Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionalsMichael J G Peach, Erik I Tellgren, Paweł Sałek, et al.The Journal of Chemical Physics|July 7, 2007
Modeling the adiabatic connection in H2Michael J G Peach, Andrew M Teale, David J TozerThe Journal of Physical Chemistry. A|January 28, 2020
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional TheoryTom J P Irons, Lucy Spence, Grégoire David, et al.Journal of Chemical Theory and Computation|November 18, 2015
Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation FunctionalsJames W Furness, Joachim Verbeke, Erik I Tellgren, et al.The Journal of Chemical Physics|October 9, 2017
Connections between variation principles at the interface of wave-function and density-functional theoriesTom J P Irons, James W Furness, Matthew S Ryley, et al.The Journal of Chemical Physics|August 22, 2008
Adiabatic connection forms in density functional theory: H2 and the He isoelectronic seriesMichael J G Peach, Adam M Miller, Andrew M Teale, et al.The Journal of Physical Chemistry. A|June 10, 2010
Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuationMichael J G Peach, John A Kattirtzi, Andrew M Teale, et al.Pageof 18