Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms

Details Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms

2010-12-23

arxiv.org/abs/1012.5179v1

Physics

Mathematical Physics

18 pages

Scientific paper

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

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