about
Revealing noncovalent interactionsChallenges for density functional theory.Evaluation of <S2> in density functional theory.Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.Evaluation of coupled perturbed and density functional methods of computing the parity-violating energy difference between enantiomers.On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory.Insights into current limitations of density functional theory.Second-Order Perturbation Theory with Fractional Charges and Fractional Spins.Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.Transition metal NMR chemical shifts from optimized effective potentialsInfluence of Coulomb-attenuation on exchange–correlation functional qualityMany-electron self-interaction error in approximate density functionalsDevelopment of exchange-correlation functionals with minimal many-electron self-interaction errorAssessment and formal properties of exchange-correlation functionals constructed from the adiabatic connectionAnalytic energy gradients of the optimized effective potential methodLocalization and delocalization errors in density functional theory and implications for band-gap predictionOptimized effective potentials from electron densities in finite basis setsSelf-interaction-free exchange-correlation functional for thermochemistry and kineticsFractional spins and static correlation error in density functional theoryDelocalization errors in density functionals and implications for main-group thermochemistryDiscontinuous nature of the exchange-correlation functional in strongly correlated systemsImproving band gap prediction in density functional theory from molecules to solidsQualitative breakdown of the unrestricted Hartree-Fock energyExtension of many-body theory and approximate density functionals to fractional charges and fractional spinsDramatic changes in electronic structure revealed by fractionally charged nucleiLocal scaling correction for reducing delocalization error in density functional approximationsThe derivative discontinuity of the exchange-correlation functional
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P50
description
researcher ORCID ID = 0000-0002-0873-2391
@en
name
Aron J Cohen
@ast
Aron J Cohen
@en
Aron J Cohen
@nl
type
label
Aron J Cohen
@ast
Aron J Cohen
@en
Aron J Cohen
@nl
prefLabel
Aron J Cohen
@ast
Aron J Cohen
@en
Aron J Cohen
@nl
P31
P496
0000-0002-0873-2391