Publication details

The Maximal Excess Charge in Muller Density-Matrix-Functional Theory


FRANK Rupert NAM Phan Thanh VAN DEN BOSCH H Hanne

Year of publication 2018
Type Article in Periodical
Magazine / Source Annales Henri Poincaré
MU Faculty or unit

Faculty of Science

Keywords Thomas-Fermi; ionization conjecture; atoms; molecules; model; bounds
Description We consider an atom described by Muller 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.

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