31 citations · 105 across the 6 of their papers we have counts for
3 papers · 1 filter
Local self-interaction correction method with a simple scaling factor
Selim Romero, Yoh Yamamoto, Tunna Baruah +1
A recently proposed local self-interaction correction (LSIC) method [Zope \textit{et al.} J. Chem. Phys., 2019,{\bf 151}, 214108] when applied to the simplest local density approxi…
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions
Yoh Yamamoto, Selim Romero, Tunna Baruah +1
The Perdew-Zunger (PZ) method provides a way to remove the self-interaction (SI) error from density functional approximations on an orbital by orbital basis. The PZ method provides…
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…