activity
20192026
most citedFirst-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 domain walls in PbTiO ferroelectric thin films

22 citations · 36 across the 10 of their papers we have counts for

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cond-mat.mtrl-sci2026★ 4 cited

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…