Application of virial theorem for the total binding energy of neutral atomic systems

摘要

Hartreendash;Fockndash;Roothaanndash;Clementi (HFRC) densities are used to calculate approximately the total exchange energies of neutral atoms (Z=2 to 36) according to the gradient expansion. Through the use of the virial theorem, total binding energies can be estimated. Second order corrections to the total exchange energies lead to approximated values of the total binding energies in excellent agreement with the tabulated HFRC values.