CALCULATION OF (P) AND (P-1) FROM VARIATIONAL ATOMIC ELECTRON-DENSITIES

Recently Pathak and Gadre discussed the relationship between the electron density ρ(r) and the expectation values 〈p〉 and 〈p-1〉. In a previous work by the authors, the Thomas-Fermi-Dirac energy-density functional has been used to assess the effect of the modified Weizsäcker gradient expansion correction on ρ(r). In this paper, use is made of this electron density, and the effect of the gradient expansion correction on the expectation values 〈p〉 and 〈p-1〉 is assessed. Also the peak value of the Compton profile J(0) is calculated. © 1990.