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The Journal of Chemical Physics
|
December 3, 2008
Hybrid functionals with local range separation
Aliaksandr V Krukau, Gustavo E Scuseria, John P Perdew, et al.
The Journal of Chemical Physics
|
January 5, 2011
Communication: Ionization potentials in the limit of large atomic number
Lucian A Constantin, John C Snyder, John P Perdew, et al.
The Journal of Chemical Physics
|
July 23, 2004
Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional
John P Perdew, Jianmin Tao, Viktor N Staroverov, et al.
Angewandte Chemie (International Ed. in English)
|
June 26, 2019
Anisotropic Conductivity at the Single-Molecule Scale
Sepideh Afsari, Parisa Yasini, Haowei Peng, et al.
Journal of Chemical Theory and Computation
|
July 5, 2022
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density?
Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, et al.
Nano Letters
|
March 21, 2020
Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO<sub>2</sub> Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/g
Sasitha C Abeyweera, Jie Yu, John P Perdew, et al.
The Journal of Physical Chemistry Letters
|
January 3, 2024
Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights
Bikash Kanungo, Aaron D Kaplan, Chandra Shahi, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 21, 2021
Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories
John P Perdew, Adrienn Ruzsinszky, Jianwei Sun, et al.
Physical Review Letters
|
August 8, 2009
Workhorse semilocal density functional for condensed matter physics and quantum chemistry
John P Perdew, Adrienn Ruzsinszky, Gábor I Csonka, et al.
Physical Review Letters
|
February 2, 2013
Van der waals coefficients for nanostructures: fullerenes defy conventional wisdom
Adrienn Ruzsinszky, John P Perdew, Jianmin Tao, et al.
Page
of 11
Search research articles
Search
Showing results (41-50 of 101) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
December 3, 2008
Hybrid functionals with local range separation
Aliaksandr V Krukau, Gustavo E Scuseria, John P Perdew, et al.
The Journal of Chemical Physics
|
January 5, 2011
Communication: Ionization potentials in the limit of large atomic number
Lucian A Constantin, John C Snyder, John P Perdew, et al.
The Journal of Chemical Physics
|
July 23, 2004
Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional
John P Perdew, Jianmin Tao, Viktor N Staroverov, et al.
Angewandte Chemie (International Ed. in English)
|
June 26, 2019
Anisotropic Conductivity at the Single-Molecule Scale
Sepideh Afsari, Parisa Yasini, Haowei Peng, et al.
Journal of Chemical Theory and Computation
|
July 5, 2022
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density?
Saswata Dasgupta, Chandra Shahi, Pradeep Bhetwal, et al.
Nano Letters
|
March 21, 2020
Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO<sub>2</sub> Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/g
Sasitha C Abeyweera, Jie Yu, John P Perdew, et al.
The Journal of Physical Chemistry Letters
|
January 3, 2024
Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights
Bikash Kanungo, Aaron D Kaplan, Chandra Shahi, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 21, 2021
Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories
John P Perdew, Adrienn Ruzsinszky, Jianwei Sun, et al.
Physical Review Letters
|
August 8, 2009
Workhorse semilocal density functional for condensed matter physics and quantum chemistry
John P Perdew, Adrienn Ruzsinszky, Gábor I Csonka, et al.
Physical Review Letters
|
February 2, 2013
Van der waals coefficients for nanostructures: fullerenes defy conventional wisdom
Adrienn Ruzsinszky, John P Perdew, Jianmin Tao, et al.
Page
of 11