Showing results (21-30 of 117) with videos related to

Sort By:
Pageof 12
Physical Review Letters|December 17, 2004
Electrical response of molecular chains from density functional theoryStephan Kümmel, Leeor Kronik, John P Perdew
Nano Letters|March 4, 2016
Bending Two-Dimensional Materials To Control Charge Localization and Fermi-Level ShiftLiping Yu, Adrienn Ruzsinszky, John P Perdew
Physical Review Letters|August 1, 2015
Strongly Constrained and Appropriately Normed Semilocal Density FunctionalJianwei Sun, Adrienn Ruzsinszky, John P Perdew
Proceedings of the National Academy of Sciences of the United States of America|January 7, 2015
Semilocal density functional obeying a strongly tightened bound for exchangeJianwei Sun, John P Perdew, Adrienn Ruzsinszky
Proceedings of the National Academy of Sciences of the United States of America|December 30, 2011
Accurate van der Waals coefficients from density functional theoryJianmin Tao, John P Perdew, Adrienn Ruzsinszky
The Journal of Physical Chemistry. B|July 21, 2006
Proper gaussian basis sets for density functional studies of water dimers and trimersGábor I Csonka, Adrienn Ruzsinszky, John P Perdew
The Journal of Chemical Physics|February 10, 2020
What do we learn from the classical turning surface of the Kohn-Sham potential as electron number is varied continuously?Tim Gould, Benjamin T Liberles, John P Perdew
The Journal of Physical Chemistry. A|July 13, 2006
Estimation, computation, and experimental correction of molecular zero-point vibrational energiesGábor I Csonka, Adrienn Ruzsinszky, John P Perdew
The Journal of Chemical Physics|December 23, 2021
Spherical vs non-spherical and symmetry-preserving vs symmetry-breaking densities of open-shell atoms in density functional theoryShah Tanvir Ur Rahman Chowdhury, John P Perdew
The Journal of Chemical Physics|March 25, 2011
A simple but fully nonlocal correction to the random phase approximationAdrienn Ruzsinszky, John P Perdew, Gábor I Csonka
Pageof 12