Concepedia

Ab initio Hartree-Fock molecular dynamics with parallel processing: application to small neutral and charged Li clusters

Piercarlo Fantucci, Vlasta Bonačić‐Koutecký, Julius Jellinek, M. Wiechert, Robert J. Harrison, Martyn F. Guest

Chemical Physics Letters · 1996 · 37 citations · 16 references

DOI

Concepts

References

16

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.3K citations · Full text

, , +14

Solid–liquid phase changes in simulated isoenergetic Ar13

Julius Jellinek, Thomas L. Beck, R. Stephen Berry · The Journal of Chemical Physics · 1986 · 541 citations

, , +17

Systematic<i>ab initio</i>configuration-interaction study of alkali-metal clusters: Relation between electronic structure and geometry of small Li clusters

Ihsan Boustani, W. Pewestorf, Piercarlo Fantucci et al. · Physical review. B, Condensed matter · 1987 · 300 citations

, , +16

Surface melting of clusters and implications for bulk matter

Hai‐Ping Cheng, R. Stephen Berry · Physical Review A · 1992 · 188 citations

, , +17