self-interaction-correction

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FLOSIC / PublicRelease_2020

FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital implementation of Perdew-Zunger SIC scheme is used in the software.

density-functional-theory quantum-chemistry self-interaction-correction

Updated Oct 31, 2024
Fortran

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self-interaction-correction

Here is 1 public repository matching this topic...

FLOSIC / PublicRelease_2020

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