SELF-CONSISTENT CALCULATION OF ELECTRON DENSITY DISTRUBUTION IN METALS IN HNC APPROXIMATION

H. Stachowiak, E. Boronski, G. Banach

W. Trzebiatowski Institute of Low Temperature and Structural Research, Polish Academy of Sciences, P.O. Box 937, 50-950 Wroclaw 2, Poland


A nonlinear integro-differential equation is introduced for the density amplitude of conduction electrons in simple metals as a consequence of the results obtained within the theory of liquids. The simplicity of this equation in comparison with the usual Kohn-Sham approach gives the possibility (within the approximations involved in using a Jastrow type trial function instead of a Slater determinant) to determine the self-consistent density of conduction electrons without assuming a muffin-tin lattice potential. Calculations have been performed for lithium. Perspectives connected with this approach are discussed.