collaborators

1 paper

cond-mat.mtrl-sci2026

Implementation of the hybrid exchange-correlation functionals in the SIESTA code

Yann Pouillon, Bill Clintone Oyomo, James Sifuna +6

We present an efficient and accurate implementation of hybrid exchange-correlation (XC) functionals in the SIESTA code, enabling large-scale simulations based on Hartree-Fock-type…