Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory

This publication has 25 references indexed in Scilit:

• Relaxation of the clean and H-covered C(111) and the clean Si(111)-1×1 surfaces
  Physical Review B, 1993
• Hubbard correlations and charge transfer at the GaAs(110) surface with alkali adsorbates
  Physical Review Letters, 1993
• Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
  Physical Review B, 1992
• Self-consistent pseudopotential calculations for sodium adsorption on GaAs(110)
  Physical Review B, 1992
• Structural and electronic properties ofC60
  Physical Review B, 1992
• Doping-induced distortions and bonding in ${\mathrm{K}}_6$${\mathrm{C}}_{60}$ and ${\mathrm{Rb}}_6$${\mathrm{C}}_{60}$
  Physical Review Letters, 1992
• Atomic and electronic structures of GaAs(110) and their alkali-adsorption-induced changes
  Physical Review Letters, 1991
• Isolated arsenic-antisite defect in GaAs and the properties ofEL2
  Physical Review B, 1989
• Pseudopotential methods in condensed matter applications
  Computer Physics Reports, 1989
• Theoretical Evidence for an Optically Inducible Structural Transition of the Isolated As Antisite in GaAs: Identification and Explanation ofEL2?
  Physical Review Letters, 1988