Atoms constituting nanosystems: Quasi-classical parameterization for binding energy and electronic structure calculations

Abstract

Within the semiclassical approach, intra-atomic electric-charge-densities and electric-field-potentials are parameterized and tabulated in form of radial step-like functions. In binding energy and electronic structure calculations performed for nanosystems, their superpositions serve as good initial approximations of the inner charge-density and potential distributions.