List of works - Aron J Cohen

Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.

scientific article published on March 2008

Analytic energy gradients of the optimized effective potential method

scientific article published on 01 October 2005

Analytical evaluation of Fukui functions and real-space linear response function ⬇️

scientific article published on April 14, 2012

Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection

scientific article published on 01 July 2007

Challenges for density functional theory.

scientific article

Delocalization errors in density functionals and implications for main-group thermochemistry

scientific article published on 01 November 2008

Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets

scientific article published in April 2004

Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory ⬇️

scientific article published on May 28, 2012

Development of exchange-correlation functionals with minimal many-electron self-interaction error

scientific article published on 01 May 2007

Discontinuous nature of the exchange-correlation functional in strongly correlated systems

scientific article published on 13 February 2009

Dramatic changes in electronic structure revealed by fractionally charged nuclei

scientific article published on 01 January 2014

Evaluation of <S2> in density functional theory

scientific article

Evaluation of coupled perturbed and density functional methods of computing the parity-violating energy difference between enantiomers.

scientific article published on 17 March 2009

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins

scientific article published on 01 September 2013

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory.

scientific article published on 7 November 2017

Fractional spins and static correlation error in density functional theory

scientific article published on 01 September 2008

Improving band gap prediction in density functional theory from molecules to solids

scientific article published on 07 July 2011

Influence of Coulomb-attenuation on exchange–correlation functional quality

scientific article published on 16 August 2006

Insights into current limitations of density functional theory.

scientific article published in August 2008

Local scaling correction for reducing delocalization error in density functional approximations

scientific article published on 04 February 2015

Localization and delocalization errors in density functional theory and implications for band-gap prediction

scientific article published on 07 April 2008

Many-electron self-interaction error in approximate density functionals

scientific article published on 01 November 2006

On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.

scientific article published in May 2015

Optimized effective potentials from electron densities in finite basis sets

scientific article published on 01 November 2007

Qualitative breakdown of the unrestricted Hartree-Fock energy ⬇️

scientific article published on 01 October 2014

Revealing noncovalent interactions

scientific article

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins

scientific article published on 18 March 2009

Self-interaction-free exchange-correlation functional for thermochemistry and kinetics

scientific article published on 01 March 2006

The derivative discontinuity of the exchange-correlation functional ⬇️

scientific article published on 01 July 2014

Transition metal NMR chemical shifts from optimized effective potentials

scientific article published on 01 February 2007

List of works by Aron J Cohen

Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.

Analytic energy gradients of the optimized effective potential method

Analytical evaluation of Fukui functions and real-space linear response function ⬇️

Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection

Challenges for density functional theory.

Delocalization errors in density functionals and implications for main-group thermochemistry

Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets

Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory ⬇️

Development of exchange-correlation functionals with minimal many-electron self-interaction error

Discontinuous nature of the exchange-correlation functional in strongly correlated systems

Dramatic changes in electronic structure revealed by fractionally charged nuclei

Evaluation of <S2> in density functional theory

Evaluation of coupled perturbed and density functional methods of computing the parity-violating energy difference between enantiomers.

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory.

Fractional spins and static correlation error in density functional theory

Improving band gap prediction in density functional theory from molecules to solids

Influence of Coulomb-attenuation on exchange–correlation functional quality

Insights into current limitations of density functional theory.

Local scaling correction for reducing delocalization error in density functional approximations

Localization and delocalization errors in density functional theory and implications for band-gap prediction

Many-electron self-interaction error in approximate density functionals

On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.

Optimized effective potentials from electron densities in finite basis sets

Qualitative breakdown of the unrestricted Hartree-Fock energy ⬇️

Revealing noncovalent interactions

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins

Self-interaction-free exchange-correlation functional for thermochemistry and kinetics

The derivative discontinuity of the exchange-correlation functional ⬇️

Transition metal NMR chemical shifts from optimized effective potentials