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20222026
most citedHigh-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

6 citations · 14 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2026

Accurate and efficient calculation of atomic forces in solids with non-self-consistent hybrid functionals

Damian Contant, Maria Hellgren

Hybrid functionals are routinely employed self-consistently within the generalized Kohn-Sham framework. The evaluation of the nonlocal Fock exchange operator makes hybrid functiona…