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Physical Chemistry Chemical Physics : PCCP
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June 13, 2014
The derivative discontinuity of the exchange-correlation functional
Paula Mori-Sánchez, Aron J Cohen
The Journal of Physical Chemistry Letters
|
August 11, 2018
Exact Density Functional Obtained via the Levy Constrained Search
Paula Mori-Sánchez, Aron J Cohen
The Journal of Chemical Physics
|
February 12, 2015
Dramatic changes in electronic structure revealed by fractionally charged nuclei
Aron J Cohen, Paula Mori-Sánchez
The Journal of Chemical Physics
|
November 3, 2014
Qualitative breakdown of the unrestricted Hartree-Fock energy
Paula Mori-Sánchez, Aron J Cohen
The Journal of Chemical Physics
|
October 15, 2005
Analytic energy gradients of the optimized effective potential method
Qin Wu, Aron J Cohen, Weitao Yang
The Journal of Chemical Physics
|
December 3, 2008
Fractional spins and static correlation error in density functional theory
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
Science (New York, N.Y.)
|
August 9, 2008
Insights into current limitations of density functional theory
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
The Journal of Chemical Physics
|
July 28, 2007
Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
The Journal of Chemical Physics
|
March 11, 2006
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
Paula Mori-Sánchez, Aron J Cohen, Weitao Yang
Physical Review Letters
|
June 4, 2008
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sánchez, Aron J Cohen, Weitao Yang
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2014
The derivative discontinuity of the exchange-correlation functional
Paula Mori-Sánchez, Aron J Cohen
The Journal of Physical Chemistry Letters
|
August 11, 2018
Exact Density Functional Obtained via the Levy Constrained Search
Paula Mori-Sánchez, Aron J Cohen
The Journal of Chemical Physics
|
February 12, 2015
Dramatic changes in electronic structure revealed by fractionally charged nuclei
Aron J Cohen, Paula Mori-Sánchez
The Journal of Chemical Physics
|
November 3, 2014
Qualitative breakdown of the unrestricted Hartree-Fock energy
Paula Mori-Sánchez, Aron J Cohen
The Journal of Chemical Physics
|
October 15, 2005
Analytic energy gradients of the optimized effective potential method
Qin Wu, Aron J Cohen, Weitao Yang
The Journal of Chemical Physics
|
December 3, 2008
Fractional spins and static correlation error in density functional theory
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
Science (New York, N.Y.)
|
August 9, 2008
Insights into current limitations of density functional theory
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
The Journal of Chemical Physics
|
July 28, 2007
Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection
Aron J Cohen, Paula Mori-Sánchez, Weitao Yang
The Journal of Chemical Physics
|
March 11, 2006
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
Paula Mori-Sánchez, Aron J Cohen, Weitao Yang
Physical Review Letters
|
June 4, 2008
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sánchez, Aron J Cohen, Weitao Yang
Page
of 4