HOME    »    PROGRAMS/ACTIVITIES    »    Annual Thematic Program
Talk Abstract
Rigorous Derivation of Exchange Corrections in the Selfconsistent Modelling of Electrons

Norbert Mauser
Vienna University
norbert.mauser@univie.ac.at

In the quantum mechanical modelling of electrons the Coulomb potential in the one particle Schrödinger-Poisson model should be corrected because of "exchange interaction" due to the Pauli principle.

We present a rigorous derivation of the local "Slater approximation" that works also for deriving local density approximation for the kinetic energy, as given in the Thomas-Fermi-von-Weizsäcker model.

Our method is based on deformations (local scaling transformations) of plane waves in a periodic box.


Back to Workshop Schedule

Back to Reactive Flow and Transport Phenomena

Go