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The Journal of Chemical Physics
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September 3, 2016
How polarizabilities and C6 coefficients actually vary with atomic volume
Tim Gould
Journal of Chemical Theory and Computation
|
May 12, 2017
What Makes a Density Functional Approximation Good? Insights from the Left Fukui Function
Tim Gould
The Journal of Physical Chemistry Letters
|
November 10, 2020
Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All Correlations
Tim Gould
The Journal of Chemical Physics
|
February 15, 2023
Toward routine Kohn-Sham inversion using the "Lieb-response" approach
Tim Gould
The Journal of Chemical Physics
|
November 29, 2023
A step toward density benchmarking-The energy-relevant "mean field error"
Tim Gould
The Journal of Chemical Physics
|
September 25, 2012
Communication: Beyond the random phase approximation on the cheap: improved correlation energies with the efficient "radial exchange hole" kernel
Tim Gould
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2018
'Diet GMTKN55' offers accelerated benchmarking through a representative subset approach
Tim Gould
Physical Review Letters
|
December 30, 2017
Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster
Tim Gould, Stefano Pittalis
The Journal of Chemical Physics
|
November 17, 2019
Range-separation and the multiple radii functional approximation inspired by the strongly interacting limit of density functional theory
Tim Gould, Stefan Vuckovic
Science Advances
|
February 13, 2019
Polymorphism of bulk boron nitride
Claudio Cazorla, Tim Gould
Page
of 6
Search research articles
Search
Showing results (1-10 of 60) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
September 3, 2016
How polarizabilities and C6 coefficients actually vary with atomic volume
Tim Gould
Journal of Chemical Theory and Computation
|
May 12, 2017
What Makes a Density Functional Approximation Good? Insights from the Left Fukui Function
Tim Gould
The Journal of Physical Chemistry Letters
|
November 10, 2020
Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All Correlations
Tim Gould
The Journal of Chemical Physics
|
February 15, 2023
Toward routine Kohn-Sham inversion using the "Lieb-response" approach
Tim Gould
The Journal of Chemical Physics
|
November 29, 2023
A step toward density benchmarking-The energy-relevant "mean field error"
Tim Gould
The Journal of Chemical Physics
|
September 25, 2012
Communication: Beyond the random phase approximation on the cheap: improved correlation energies with the efficient "radial exchange hole" kernel
Tim Gould
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2018
'Diet GMTKN55' offers accelerated benchmarking through a representative subset approach
Tim Gould
Physical Review Letters
|
December 30, 2017
Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster
Tim Gould, Stefano Pittalis
The Journal of Chemical Physics
|
November 17, 2019
Range-separation and the multiple radii functional approximation inspired by the strongly interacting limit of density functional theory
Tim Gould, Stefan Vuckovic
Science Advances
|
February 13, 2019
Polymorphism of bulk boron nitride
Claudio Cazorla, Tim Gould
Page
of 6