Path Integral Density Functional Theory

Peter Borrmann   Phone: +49-441-798-3362   Fax: +49-441-798-3201


Date: 19941228

Article: published in cond-mat/9412117

A new method ( PI-DFT ) which combines path integrals and density functional
theory is proposed as a pathway to many fields of physics. Within path integral
theory it is possible to construct particle densities without explicitly
calculating individual wave functions. These densities can directly be used as
an input to energy density functionals. Thus our method makes full use of the
theorem of Hohenberg, Kohn and Sham which shows, that the energy of a many
electron system only depends on the particle density. At glance we present a
recursion formula for the calculation of many fermion and boson particle
densities from one-particle densities at a set of different temperatures. For
both statistics the numerical effort of our method increases only with the
square of the particle number.

DC-Metatags done by WUFI 1.1
Metdata by Thomas Severiens on 19 November 1998
Supporting work done by Sandra Valeska Bergmann.