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Kushantha P K Withanage

Showing results (1-10 of 15) with videos related to

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The Journal of Physical Chemistry. A|April 23, 2019
Comment on "Additional Insights Between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT"Koblar A Jackson, Kushantha P K Withanage, Juan E Peralta
The Journal of Chemical Physics|June 22, 2022
Complex Fermi-Löwdin orbital self-interaction correctionKushantha P K Withanage, Koblar A Jackson, Mark R Pederson
The Journal of Physical Chemistry. A|February 19, 2026
Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic HexagonsMark R Pederson, Zahra Hooshmand, Difan Zhang, et al.
Journal of Chemical Theory and Computation|July 10, 2018
On the Question of the Total Energy in the Fermi-Löwdin Orbital Self-Interaction Correction MethodKushantha P K Withanage, Kai Trepte, Juan E Peralta, et al.
The Journal of Chemical Physics|April 8, 2024
Symmetry breaking and self-interaction correction in the chromium atom and dimerRohan Maniar, Kushantha P K Withanage, Chandra Shahi, et al.
The Journal of Chemical Physics|April 9, 2022
Fermi-Löwdin orbital self-interaction correction of adsorption energies on transition metal ionsKushantha P K Withanage, Kamal Sharkas, J Karl Johnson, et al.
The Journal of Chemical Physics|January 15, 2021
Density-related properties from self-interaction corrected density functional theory calculationsKushantha P K Withanage, Puskar Bhattarai, Juan E Peralta, et al.
The Journal of Chemical Physics|November 10, 2019
The effect of self-interaction error on electrostatic dipoles calculated using density functional theoryAlexander I Johnson, Kushantha P K Withanage, Kamal Sharkas, et al.
The Journal of Chemical Physics|November 3, 2018
Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplingsRajendra P Joshi, Kai Trepte, Kushantha P K Withanage, et al.
The Journal of Physical Chemistry. A|November 10, 2018
Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional ApproximationKamal Sharkas, Lin Li, Kai Trepte, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|April 23, 2019
Comment on "Additional Insights Between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT"Koblar A Jackson, Kushantha P K Withanage, Juan E Peralta
The Journal of Chemical Physics|June 22, 2022
Complex Fermi-Löwdin orbital self-interaction correctionKushantha P K Withanage, Koblar A Jackson, Mark R Pederson
The Journal of Physical Chemistry. A|February 19, 2026
Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic HexagonsMark R Pederson, Zahra Hooshmand, Difan Zhang, et al.
Journal of Chemical Theory and Computation|July 10, 2018
On the Question of the Total Energy in the Fermi-Löwdin Orbital Self-Interaction Correction MethodKushantha P K Withanage, Kai Trepte, Juan E Peralta, et al.
The Journal of Chemical Physics|April 8, 2024
Symmetry breaking and self-interaction correction in the chromium atom and dimerRohan Maniar, Kushantha P K Withanage, Chandra Shahi, et al.
The Journal of Chemical Physics|April 9, 2022
Fermi-Löwdin orbital self-interaction correction of adsorption energies on transition metal ionsKushantha P K Withanage, Kamal Sharkas, J Karl Johnson, et al.
The Journal of Chemical Physics|January 15, 2021
Density-related properties from self-interaction corrected density functional theory calculationsKushantha P K Withanage, Puskar Bhattarai, Juan E Peralta, et al.
The Journal of Chemical Physics|November 10, 2019
The effect of self-interaction error on electrostatic dipoles calculated using density functional theoryAlexander I Johnson, Kushantha P K Withanage, Kamal Sharkas, et al.
The Journal of Chemical Physics|November 3, 2018
Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplingsRajendra P Joshi, Kai Trepte, Kushantha P K Withanage, et al.
The Journal of Physical Chemistry. A|November 10, 2018
Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional ApproximationKamal Sharkas, Lin Li, Kai Trepte, et al.
Pageof 2