BornOppenheimer potential energy surfaces for KohnSham models in the local density approximation
Abstract
We show that the BornOppenheimer potential energy surface in KohnSham theory behaves like the corresponding one in ThomasFermi 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.
 Publication:

arXiv eprints
 Pub Date:
 April 2021
 arXiv:
 arXiv:2104.09057
 Bibcode:
 2021arXiv210409057G
 Keywords:

 Mathematical Physics;
 Nuclear Theory
 EPrint:
 19 pages