J. Häfner

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

Natural Sciences, Chemistry, Physics +17

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

Natural Sciences, Materials Science, Physics +17

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

Natural Sciences, Chemistry, Physics +14

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

Georg Kresse, J. Häfner · Journal of Physics Condensed Matter · 1994 · 3.9K citations

Natural Sciences, Physics, Computational Chemistry +11

Theory of the crystal structures of selenium and tellurium: The effect of generalized-gradient corrections to the local-density approximation

Georg Kresse, J. Furthmüller, J. Häfner · Physical review. B, Condensed matter · 1994 · 572 citations

Natural Sciences, Chemistry, Physics +17