Born–Oppenheimer Potential Energy Surfaces for Kohn–Sham Models in the Local Density Approximation

Research output: Contribution to journalArticlepeer-review

Abstract

We show that the Born–Oppenheimer potential energy surface in Kohn–Sham theory behaves like the corresponding one in Thomas–Fermi theory up to o(R- 7) for small nuclear separation R. We also prove that if a minimizing configuration exists, then the minimal distance of nuclei is larger than some constant which is independent of the nuclear charges.

Original languageEnglish
Pages (from-to)1765-1790
Number of pages26
JournalAnnales Henri Poincare
Volume23
Issue number5
DOIs
Publication statusPublished - May 2022
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Nuclear and High Energy Physics
  • Mathematical Physics

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