Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities
Faculty of Sciences. Physics
Physics letters: A. - Amsterdam, 1967, currens
, p. 351-353
University of Antwerp
A differential equation for the Dirac density matrix gamma(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that gamma equivalent to gamma [p, t(g)] where p and t(g). are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important by product of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (C) 2007 Elsevier B.V All rights reserved.