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.
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