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A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

artículo científico publicado en 2019

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

scientific article published on 01 June 2020

Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA

scientific article published on 06 August 2020

Density-related properties from self-interaction corrected density functional theory calculations

artículo científico publicado en 2021

Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction

artículo científico publicado en 2021

Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional

scientific article published on 01 October 2019

Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions

scientific article published on 01 May 2020

Self-interaction error overbinds water clusters but cancels in structural energy differences

scientific article published on 11 May 2020

Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

artículo científico publicado en 2021

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

scientific article published on 01 October 2020

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

scientific article published on 01 November 2019

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