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Ab initio molecular dynamics for liquid metals

Journal of Non-Crystalline Solids · 1995 · Vol. 192-193 · pp. 222–229

Georg Kresse✉(TU Wien)

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Material Dynamics and Properties Glass properties and applications Theoretical and Computational PhysicsAb initioMolecular dynamicsQuenching (fluorescence)Materials scienceElectronic structureTransition metalAb initio quantum chemistry methodsSIESTA (computer program)Amorphous solidChemical physics

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References

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

Physical review. B, Condensed matter · 1993 · 8,049 citations

Forces in Molecules

Physical Review · 1939 · 3,742 citations

A unified formulation of the constant temperature molecular dynamics methods

The Journal of Chemical Physics · 1984 · 18,423 citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

Physical Review Letters · 1985 · 10,613 citations

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

Journal of Physics Condensed Matter · 1994 · 3,888 citations

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

Physical review. B, Condensed matter · 1993 · 43,952 citations

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

Physical review. B, Condensed matter · 1990 · 22,699 citations

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

Physical review. B, Condensed matter · 1994 · 22,145 citations

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