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cond-mat.mtrl-sci2026

Pseudo-hybrid density functional ACBN0 for Hubbard correction in a numeric atom-centered orbital basis

Svetlana A. Artiukova, Ilia M. Odud, Sergey V. Levchenko

We present a formulation and implementation of the Agapito-Curtarolo-Buongiorno Nardelli (ACBN0) pseudo-hybrid density functional in a numeric atom-centered orbital basis. The meth…