화학공학소재연구정보센터
Chemical Physics Letters, Vol.469, No.4-6, 353-356, 2009
Exact differential and integral constraints for the Pauli potential in the pair density functional theory
In the ground state the pair density n can be determined by solving a single auxiliary equation of a two-particle problem. Exact differential and integral constraints for the Pauli potential of the effective potential of the two-particle equation are presented. The constraints are derived using the differential virial theorem and the Hiller-Sucher-Feinberg identity. (C) 2009 Elsevier B. V. All rights reserved.