• Publications
  • Influence
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
  • Perdew, Chevary, +4 authors Fiolhais
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 September 1992
TLDR
A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain. Expand
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
  • Perdew, Chevary, +4 authors Fiolhais
  • Materials Science, Medicine
  • Physical review. B, Condensed matter
  • 1 August 1993
Erratum: Dominant density parameters and local pseudopotentials for simple metals
Be 4.547 0.197 4.557 0.192 Al 3.633 0.334 3.572 0.317 Ga 3.539 0.365 3.278 0.318 Sn 3.367 0.444 3.084 0.386 Pb 3.334 0.466 2.950 0.403 In 3.397 0.423 3.150 0.387 Tl 3.360 0.439 2.948 0.400 Mg 3.493Expand
Energies of curved metallic surfaces from the stabilized-jellium model.
  • Fiolhais, Perdew
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 March 1992
Spherical voids in the stabilized jellium model: Rigorous theorems and Padé representation of the void-formation energy.
TLDR
This work considers the energy needed to form a spherical hole or void in a simple metal, modeled as ordinary jellium or stabilizedJellium, and presents two Hellmann-Feynman theorems for the void-formation energy, which confirm that the domain of validity of the liquid drop model extends down almost to the atomic scale of sizes. Expand
Formation energies of metallic voids, edges, and steps: Generalized liquid-drop model.
TLDR
For radii greater than or equal to that of a single atom or monovacancy, the liquid-drop model is found to be usefully accurate and the predicted monovACancy formation energies for stabilized jellium agree reasonably well with those measured for simple metals. Expand