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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 ZZ is sufficiently large compared to the number NN of electrons. More specifically, a two-electron atom with atomic number Z35Z\geq 35 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 Z>1Z>1, which exhibits a phase segregation.

Keywords

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

R2 v1 2026-06-21T17:03:31.933Z