A. Cohen

发表

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

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2007, The Journal of chemical physics.

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

Weitao Yang, A. Cohen, Xiangqian Hu, 2008, The Journal of chemical physics.

The derivative discontinuity of the exchange-correlation functional.

A. Cohen, P. Mori-Sánchez, 2014, Physical chemistry chemical physics : PCCP.

Challenges for density functional theory.

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2012, Chemical reviews.

Left-right correlation energy

N. Handy, A. Cohen, 2001 .

Left-right and dynamic correlation

N. Handy, A. Cohen, Kian Molawi, 2002 .

Insights into Current Limitations of Density Functional Theory

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2008, Science.

Assessment of exchange correlation functionals

N. Handy, A. Cohen, 2000 .

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

Weitao Yang, Weitao Yang, A. Cohen, 2008, Physical review letters.

Many-electron self-interaction error in approximate density functionals.

Weitao Yang, Weitao Yang, A. Cohen, 2006, The Journal of chemical physics.

Failure of the random phase approximation correlation energy

Weitao Yang, A. Cohen, Paula Mori-S'anchez, 2009, 0903.4403.

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

Weitao Yang, Weitao Yang, A. Cohen, 2007, Physical review letters.

Calculation of nuclear magnetic resonance shielding constants using potential-based methods

Weitao Yang, A. Cohen, Qin Wu, 2004 .

Optimized effective potentials from electron densities in finite basis sets.

Weitao Yang, Weitao Yang, A. Cohen, 2007, The Journal of chemical physics.

Pushing the frontiers of density functionals by solving the fractional electron problem

Alexander L. Gaunt, Alexander W. R. Nelson, David H. P. Turban, 2021, Science.

Density functional generalized gradient calculations using Slater basis sets

N. Handy, A. Cohen, 2002 .

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins.

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2009, Journal of chemical theory and computation.

MOLECULAR ELECTRIC PROPERTIES : AN ASSESSMENT OF RECENTLY DEVELOPED FUNCTIONALS

A. Cohen, Y. Tantirungrotechai, 1999 .

Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets.

A. Alavi, A. Cohen, Hongjun Luo, 2021, The Journal of chemical physics.

Fractional numbers of electrons in Kohn–Sham theory

N. Handy, A. Cohen, D. Tozer, 2003 .

Qualitative breakdown of the unrestricted Hartree-Fock energy.

A. Cohen, P. Mori-Sánchez, 2014, The Journal of chemical physics.

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

George H. Booth, A. Cohen, J. Cole, 2015, The Journal of chemical physics.

Influence of Coulomb-attenuation on exchange-correlation functional quality.

A. Cohen, D. Tozer, Michael J G Peach, 2006, Physical chemistry chemical physics : PCCP.

Evaluation of in density functional theory.

N. Handy, A. Cohen, D. Tozer, 2007, The Journal of chemical physics.

Are Hartree–Fock atoms too small or too large?

B. Roos, N. Handy, A. Cohen, 2004 .

Response to Comment on “Pushing the frontiers of density functionals by solving the fractional electron problem”

Alexander L. Gaunt, Alexander W. R. Nelson, David H. P. Turban, 2022, Science.

Local scaling correction for reducing delocalization error in density functional approximations.

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2015, Physical review letters.

Revealing noncovalent interactions.

Julia Contreras-García, Shahar Keinan, Weitao Yang, 2010, Journal of the American Chemical Society.

Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems.

A. Alavi, E. Giner, A. Cohen, 2022, The Journal of chemical physics.

Development and assessment of new exchange-correlation functionals

Fred A. Hamprecht, Nicholas C. Handy, David J. Tozer, 1998 .

Assessment of a new local exchange functional OPTX

Nicholas C. Handy, N. Handy, A. Cohen, 2001 .

Dynamic correlation

N. Handy, A. Cohen, 2001 .

Evaluation of Coupled Perturbed and Density Functional Methods of Computing the Parity-Violating Energy Difference between Enantiomers

A. Cohen, A. J. Macdermott, G. Hyde, 2009, Origins of Life and Evolution of Biospheres.

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

Weitao Yang, A. Cohen, P. Geerlings, 2012, The Journal of chemical physics.

Analytic energy gradients of the optimized effective potential method.

Weitao Yang, A. Cohen, Qin Wu, 2005, The Journal of chemical physics.

Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials

A. Cohen, Qin Wu, Weitao Yang *, 2005 .

Density functional calculations, using Slater basis sets, with exact exchange

N. Handy, A. Cohen, M. Watson, 2003 .

A dynamical correlation functional

Nicholas C. Handy, N. Handy, A. Cohen, 2002 .

Density functional calculations of the hyperpolarisabilities of small molecules

Nicholas C. Handy, David J. Tozer, N. Handy, 1999 .

Variational density matrix functional calculations for the corrected Hartree and corrected Hartree–Fock functionals

A. Cohen, E. Baerends, 2002 .

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

Michael Seidl, Derk P Kooi, Paola Gori-Giorgi, 2017, Journal of chemical theory and computation.

Fractional spins and static correlation error in density functional theory.

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2008, The Journal of chemical physics.

Optimizing Jastrow factors for the transcorrelated method

A. Alavi, A. Cohen, Werner Dobrautz, 2023, 2302.13683.

A. Alavi, A. Cohen, D. Tew, 2019, The Journal of Chemical Physics.

A. Alavi, A. Cohen, D. Kats, 2021, The Journal of chemical physics.

Hartree–Fock orbitals which obey the nuclear cusp condition

Peter T. A. Galek, G. Chan, N. Handy, 2005 .

Landscape of an exact energy functional

A. Cohen, Aron J. Cohen, Paula Mori-S'anchez, 2015, 1506.02230.

Thomas–Fermi–Dirac–von Weizsäcker models in finite systems

G. Chan, N. Handy, A. Cohen, 2001 .

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

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2012, The Journal of chemical physics.

Fractional charge perspective on the band gap in density-functional theory

Weitao Yang, Weitao Yang, A. Cohen, 2007, 0708.3175.

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

Weitao Yang, Weitao Yang, A. Cohen, 2006, The Journal of chemical physics.

Dramatic changes in electronic structure revealed by fractionally charged nuclei.

A. Cohen, P. Mori-Sánchez, 2013, The Journal of chemical physics.

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

Weitao Yang, A. Cohen, P. Mori-Sánchez, 2007, The Journal of chemical physics.

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

Weitao Yang, Weitao Yang, A. Cohen, 2008, The Journal of chemical physics.

Size extensivity of the direct optimized effective potential method.

E. Davidson, Weitao Yang, A. Cohen, 2008, The Journal of chemical physics.

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

Weitao Yang, Weitao Yang, A. Cohen, 2013, The Journal of chemical physics.

Optimizing Jastrow factors for the transcorrelated method.

A. Alavi, A. Cohen, P. López Ríos, 2023, The Journal of chemical physics.

Optimized effective potential for calculations with orbital-free potential functionals

Weitao Yang, A. Cohen, Xiangqian Hu, 2012 .

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

Xiangqian Hu, Weitao Yang, Xiao Zheng, 2011, Physical review letters.

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

T. Helgaker, N. Handy, A. Cohen, 2004, The Journal of chemical physics.

A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes.

Jerry M. Parks, Weitao Yang, A. Cohen, 2008, The Journal of chemical physics.

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

Weitao Yang, A. Cohen, Xiangqian Hu, 2008, The Journal of chemical physics.