title: Modeling the Pauli potential in the pair density functional theory.
abstract: In the ground state the pair density can be determined by solving a single auxiliary equation of a two-particle problem. A novel method for determining the Pauli potential entering this equation is presented and, starting from a reliable description of the pair density, an analytical expression is derived for atomic systems. Test calculations are presented for Be and isoelectronic C(2+) and O(4+) ions.
authors.affiliation: Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Pisa, Italy.
authors.forename: C
authors.initials: C
authors.lastname: Amovilli
authors.forename: A
authors.initials: A
authors.lastname: Nagy