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

Frank, Rupert L.; Nam, Phan Thanh und Bosch, Hanne van den (2018): The Maximal Excess Charge in Muller Density-Matrix-Functional Theory. In: Annales Henri Poincare, Bd. 19, Nr. 9: S. 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.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Mathematik, Informatik und Statistik > Mathematik
• Themengebiete: 500 Naturwissenschaften und Mathematik > 510 Mathematik
• ISSN: 1424-0637
• Sprache: Englisch