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

Frank, Rupert L. ; Nam, Phan Thanh and Bosch, Hanne van den (2018): The Maximal Excess Charge in Muller Density-Matrix-Functional Theory. In: Annales Henri Poincare, Vol. 19, No. 9: pp. 2839-2867

Abstract

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.

• Item Type: Journal article
• Faculties: Mathematics, Computer Science and Statistics > Mathematics > Analysis, Mathematical Physics and Numerics
• Subjects: 500 Science > 510 Mathematics
• ISSN: 1424-0637
• Language: English