Kushantha P. K. Withanage

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr

Der-you Kao, Kushantha P. K. Withanage, Torsten Hahn et al. · The Journal of Chemical Physics · 2017 · 46 citations · Full text

Engineering, Optimal Local Orbitals, Self-consistent Self-interaction +17

Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings

Rajendra P. Joshi, Kai Trepte, Kushantha P. K. Withanage et al. · The Journal of Chemical Physics · 2018 · 36 citations · Full text

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

Kamal Sharkas, Lin Li, Kai Trepte et al. · The Journal of Physical Chemistry A · 2018 · 33 citations · Full text

The effect of self-interaction error on electrostatic dipoles calculated using density functional theory

Alexander I. Johnson, Kushantha P. K. Withanage, Kamal Sharkas et al. · The Journal of Chemical Physics · 2019 · 32 citations · Full text

Reference Dipoles, Electrostatic Dipoles, Engineering +16

Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction

Kushantha P. K. Withanage, Sharmin Akter, Chandra Shahi et al. · Physical review. A/Physical review, A · 2019 · 31 citations · Full text

Engineering, Fermi-löwdin Self-interaction Correction, Computational Chemistry +17