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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Published in | Annales Henri Poincaré Vol. 19; no. 9; pp. 2839 - 2867 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Cham
Springer International Publishing
01.09.2018
Springer Nature B.V |
Subjects | |
Online Access | Get full text |
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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. |
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ISSN: | 1424-0637 1424-0661 |
DOI: | 10.1007/s00023-018-0695-1 |