English

Born-Oppenheimer potential energy surfaces for Kohn-Sham models in the local density approximation

Mathematical Physics 2023-10-17 v2 math.MP Nuclear Theory

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(R7)o(R^{-7}) for small nuclear separation RR. 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.

Keywords

Cite

@article{arxiv.2104.09057,
  title  = {Born-Oppenheimer potential energy surfaces for Kohn-Sham models in the local density approximation},
  author = {Yukimi Goto},
  journal= {arXiv preprint arXiv:2104.09057},
  year   = {2023}
}

Comments

26 pages. To appear in Annales Henri Poincar\'e