Ab initio molecular dynamics for liquid metals.Physical review B, 47(1):558

Georg Kresse, J¨ urgen Hafner · 1993

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First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximation

cond-mat.mtrl-sci · 2026-05-22

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First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximation cond-mat.mtrl-sci · 2026-05-22 · unreviewed · ref 38