The maximal excess charge in M\"uller density-matrix-functional theory
Mathematical Physics
2016-08-22 v1 Analysis of PDEs
math.MP
Abstract
We consider an atom described by M\"uller theory, which is similar to Hartree-Fock theory, but with a modified exchange term. We prove that a nucleus of charge Z can bind at most Z+C electrons, where C is a universal constant. Our proof proceeds by comparison with Thomas-Fermi theory and a key ingredient is a novel bound on the number of electrons far from the nucleus.
Cite
@article{arxiv.1608.05625,
title = {The maximal excess charge in M\"uller density-matrix-functional theory},
author = {Rupert L. Frank and Phan Thành Nam and Hanne Van Den Bosch},
journal= {arXiv preprint arXiv:1608.05625},
year = {2016}
}
Comments
25 pages