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 for small nuclear separation . 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