Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms

preprint2010arXivOpen access

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 Z≥35Z\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.

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