Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms
Mathematical Physics
2015-05-20 v1 math.MP
Abstract
In this paper we study the problem of uniqueness of solutions to the Hartree and Hartree-Fock equations of atoms. We show, for example, that the Hartree-Fock ground state of a closed shell atom is unique provided the atomic number is sufficiently large compared to the number of electrons. More specifically, a two-electron atom with atomic number has a unique Hartree-Fock ground state given by two orbitals with opposite spins and identical spatial wave functions. This statement is wrong for some , which exhibits a phase segregation.
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Cite
@article{arxiv.1012.5179,
title = {Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms},
author = {M. Griesemer and F. Hantsch},
journal= {arXiv preprint arXiv:1012.5179},
year = {2015}
}
Comments
18 pages