Core effective potentials for Ga, Ge, and As

  • John J. Barton
  • , Coenraad A. Swarts
  • , William A. Goddard

Research output: Contribution to journalArticlepeer-review

Abstract

We report effective core potentials and the corresponding valence orbitals for Ga, Ge, and As. These potentials were obtained using the shape and Hamiltonian-consistent procedure in which the core portions of the atomic valence orbitals are chosen such that the valence orbital amplitude in the valence region is not changed, while the orbital and valence-valence Coulomb and exchange interactions are maintained at their ab initio values.

Original languageEnglish
Pages (from-to)2812-2814
Number of pages3
JournalPhysical Review B
Volume25
Issue number4
DOIs
Publication statusPublished - 1 Jan 1982
Externally publishedYes

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