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

We consider an atom described by Müller 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 ingr...

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Bibliographic Details
Published inAnnales Henri Poincaré Vol. 19; no. 9; pp. 2839 - 2867
Main Authors Frank, Rupert L., Nam, Phan Thành, Van Den Bosch, Hanne
Format Journal Article
LanguageEnglish
Published Cham Springer International Publishing 01.09.2018
Springer Nature B.V
Subjects
Charge density
Classical and Quantum Gravitation
Dynamical Systems and Ergodic Theory
Electrons
Elementary Particles
Mathematical and Computational Physics
Mathematical Methods in Physics
Nuclei (nuclear physics)
Physics
Physics and Astronomy
Quantum Field Theory
Quantum Physics
Relativity Theory
Theoretical
Thomas-Fermi model
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Summary:We consider an atom described by Müller 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.
ISSN:1424-0637
1424-0661
DOI:10.1007/s00023-018-0695-1