Thomas-Fermi Density Functional and Atomic Radii

Authors: Maria Cristina DONNAMARIA, Eduardo Alberto CASTRO

Abstract: The Density approximation to the Density Functional Theory (DFT) of Hohenberg and Kohn constitutes a popular technique for studying properties of many electron systems In a previous paper it was possible to evaluate dipole polarizabilities for neutral atoms within the context of Thomas- Fermi Density Theory by using a trial electronic density function and a particular Z optimization criterion. Furthermore, the Z optimum values give some additional information about the shell atomic structure. In this present work, we are applying the same procedure to calculate atomic effective radii for neutral atoms.

Keywords: Thomas Fermi Density Functional, Effective nuclear charges, Electric dipole polarizabilities, Effective radii for neutral atoms