Small metal clusters in a cylindrically averaged pseudopotential scheme

Unified Approach for Molecular Dynamics and Density-Functional Theory

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

Natural Sciences, Materials Science, Physics +15

The density functional formalism, its applications and prospects

R. Jones, O. Gunnarsson · Reviews of Modern Physics · 1989 · 4K citations

Natural Sciences, Chemistry, Physics +13

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

O. Gunnarsson, Bengt I. Lundqvist · Physical review. B, Solid state · 1976 · 3.7K citations

Natural Sciences, Chemistry, Physics +17

Surface free energies of solid metals: Estimation from liquid surface tension measurements

W. R. Tyson, W. Miller · Surface Science · 1977 · 2K citations

Natural Sciences, Materials Science, Physics +16

Theory of Metal Surfaces: Charge Density and Surface Energy

N. D. Lang, W. Kohn · Physical review. B, Solid state · 1970 · 1.9K citations

Natural Sciences, Materials Science, Physics +17