84 citations · 359 across the 11 of their papers we have counts for
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physics.chem-ph2020★ 25 cited
Self-Interaction Correction in Water-Ion Clusters
Kamal Wagle, Biswajit Santra, Puskar Bhattarai +4
We study the importance of self-interaction errors in density functional approximations for various water-ion clusters. We have employed the Fermi-Löwdin orbital self-interaction c…
physics.chem-ph2020★ 31 cited
A Step in the Direction of Resolving the Paradox of Perdew-Zunger Self-interaction Correction. II. Gauge Consistency of the Energy Density at Three Levels of Approximation
Puskar Bhattarai, Kamal Wagle, Chandra Shahi +7
The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energ…