2022-05-16T21:11:37Zhttps://soar-ir.repo.nii.ac.jp/oaioai:soar-ir.repo.nii.ac.jp:000117842021-09-02T06:11:34Z1169:1170Sum rules and bounds on the exchange and correlation energy functional of current-density functional theoryHiguchi, MHiguchi, KCopyrightÂ© 2001 The American Physical SocietyThe exact expression for the exchange-correlation energy functional E-xc[rho,j(p)] of the current-density functional theory (CDFT) is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density rho(r) and paramagnetic current density j(p)(r). On the basis of this expression, the local density approximation and its modifications for E-xc[rho,j(p)] are proposed within the CDFT. In addition, we present sum rules and bounds on E-xc[rho,j(p)] by considering the behaviors of the basic variables and E-xc[rho,j(p)] under the various types of the nonuniform coordinate scaling of electrons. They are useful in estimating the validity of the approximate forms of E-xc[rho,j(p)] proposed.ArticlePHYSICAL REVIEW B. 65(19):195122 (2002)AMER PHYSICAL SOC2001-05-15engjournal articleVoRhttp://hdl.handle.net/10091/16970https://soar-ir.repo.nii.ac.jp/records/11784https://doi.org/10.1103/PhysRevB.65.19512210.1103/PhysRevB.65.1951221098-0121AA11187113PHYSICAL REVIEW B6519195122https://soar-ir.repo.nii.ac.jp/record/11784/files/PhysRevB.74.195122.pdfapplication/pdf156.6 kB2015-09-28