Gradient corrections for semiclassical theories of atoms in strong magnetic fields

Abstract

This paper is divided into two parts. In the first one the von Weizsäcker term is introduced to the magnetic Thomas–Fermi theory and the resulting MTFW functional is mathematically analyzed. In particular, it is shown that the von Weizsäcker term produces the Scott correction up to magnetic fields of order B≪Z2, in accordance with a result of Ivrii on the quantum mechanical ground state energy. The second part is dedicated to gradient corrections for semiclassical theories of atoms restricted to electrons in the lowest Landau band. We consider modifications of the Thomas–Fermi theory for strong magnetic fields (STF), i.e., for B≪Z3. The main modification consists in replacing the integration over the variables perpendicular to the field by an expansion in angular momentum eigenfunctions in the lowest Landau band. This leads to a functional (DSTF) depending on a sequence of one-dimensional densities. For a one-dimensional Fermi gas the analogue of a Weizsäcker correction has a negative sign and we discuss the corresponding modification of the DSTF functional.