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Journal of Chemical Theory and Computation
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July 25, 2018
Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies
Szymon Śmiga, Ireneusz Grabowski
The Journal of Physical Chemistry Letters
|
October 2, 2024
A Critical Evaluation of the Hybrid KS DFT Functionals Based on the KS Exchange-Correlation Potentials
Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems
Ireneusz Grabowski, Eduardo Fabiano, Fabio Della Sala
The Journal of Chemical Physics
|
October 24, 2007
Ab initio density functional theory applied to quasidegenerate problems
Ireneusz Grabowski, Victor Lotrich, Rodney J Bartlett
The Journal of Chemical Physics
|
February 10, 2020
The ab initio density functional theory applied for spin-polarized calculations
Szymon Śmiga, Volodymyr Marusiak, Ireneusz Grabowski, et al.
The Journal of Chemical Physics
|
March 3, 2005
The exchange-correlation potential in ab initio density functional theory
Rodney J Bartlett, Ireneusz Grabowski, So Hirata, et al.
The Journal of Chemical Physics
|
September 29, 2011
Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential
Ireneusz Grabowski, Andrew M Teale, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
December 10, 2019
Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method
Szymon Śmiga, Ireneusz Grabowski, Mateusz Witkowski, et al.
The Journal of Physical Chemistry. A
|
September 10, 2025
Ultrafast Correlation Energy Estimator
Mateusz Witkowski, Szymon Śmiga, So Hirata, et al.
Journal of Computational Chemistry
|
July 1, 2016
Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods
Szymon Śmiga, Fabio Della Sala, Adam Buksztel, et al.
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of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
July 25, 2018
Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies
Szymon Śmiga, Ireneusz Grabowski
The Journal of Physical Chemistry Letters
|
October 2, 2024
A Critical Evaluation of the Hybrid KS DFT Functionals Based on the KS Exchange-Correlation Potentials
Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems
Ireneusz Grabowski, Eduardo Fabiano, Fabio Della Sala
The Journal of Chemical Physics
|
October 24, 2007
Ab initio density functional theory applied to quasidegenerate problems
Ireneusz Grabowski, Victor Lotrich, Rodney J Bartlett
The Journal of Chemical Physics
|
February 10, 2020
The ab initio density functional theory applied for spin-polarized calculations
Szymon Śmiga, Volodymyr Marusiak, Ireneusz Grabowski, et al.
The Journal of Chemical Physics
|
March 3, 2005
The exchange-correlation potential in ab initio density functional theory
Rodney J Bartlett, Ireneusz Grabowski, So Hirata, et al.
The Journal of Chemical Physics
|
September 29, 2011
Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential
Ireneusz Grabowski, Andrew M Teale, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
December 10, 2019
Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method
Szymon Śmiga, Ireneusz Grabowski, Mateusz Witkowski, et al.
The Journal of Physical Chemistry. A
|
September 10, 2025
Ultrafast Correlation Energy Estimator
Mateusz Witkowski, Szymon Śmiga, So Hirata, et al.
Journal of Computational Chemistry
|
July 1, 2016
Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods
Szymon Śmiga, Fabio Della Sala, Adam Buksztel, et al.
Page
of 2