758 citations · 1.7k across the 52 of their papers we have counts for
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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…
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods
Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz +3
We studied the effect of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density…
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…
Comparison of regularized SCAN functional with SCAN functional with and without self-interaction for a wide-array of properties
Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz +3
The Strongly Constrained and Appropriately Normed (SCAN) functional is a non-empirical meta-generalized-gradient approximation (meta-GGA) functional that satisfies all the known co…
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…
Importance of self-interaction-error removal in density functional calculations on water cluster anions
Jorge Vargas, Peter Ufondu, Tunna Baruah +3
Accurate description of the excess charge in water cluster anions is challenging for standard semi-local and (global) hybrid density functional approximations (DFAs). Using the rec…