Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms
Griesemer, M. · Hantsch, F.
Original · EN
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≥ 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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