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Theory

A single electron is described by the (non-negative, essentially self-adjoint) Hamiltonian

 

for some large (compared with atomic distances) cube . Periodic boundary conditions are choosen in order to avoid any influence of the surface. This restriction (effectively to the compact 3-torus) of the elliptic operator guarantees that one has only to deal with a discrete spectrum.

To retain the desired "freedom" of the electrons in the mathematical description of the model its necessary to choose the (non-negative, essentially self-adjoint) Hamiltonian

 

which has absolutely continous spectrum , therefore describing "really free" particles, but facing with technical difficulties in counting states etc.


Michael Gruber
Michael.Gruber@Uni-Augsburg.DE