Description
Title: Maximum Ionization in the Hartree-Fock Theory with Restrictions and Without Restrictions
Abstract: The maximum number of electrons that can be bound to a system of nuclei in a Hartree-Fock theory model is examined in this paper. Both the Restricted and Unrestricted Hartree-Fock models are taken into account. We are using the necessary but insufficient non-existence approach, or in other words, we are determining the upper bound on the possible number of electrons. We establish several new auxiliary results and propose a condition that, if met, will improve the upper bound on the maximum number of electrons in the Restricted Hartree-Fock model in our detailed account of the proof of Lieb’s bound [Theorem 1, Phys. Rev. A 29 (1984), 3018] for the Hartree-Fock models. We demonstrate that the latter condition is true for two-electron atoms.
Keywords: ionization; anions; Hartree-Fock theory
Paper Quality: SCOPUS / Web of Science Level Research Paper
Subject: Physics
Subject Category: Atomic and Molecular Physics, and Optics
Writer Experience: 20+ Years
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