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Electronic structure without exchange?

1999/07/07 by T. Jarlborg, Jarlborg, T.
Engineering · Physics and Astronomy · #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat

paper · pdf · doi:10.48550/arxiv.cond-mat/9907103

5 pages, 1 figure

arxiv created 1999/07/07 · arxiv updated 2009/11/30

Abstract

The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schrödinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition which respects a spacial exclusion principle for equal spins. The resulting potential compares reasonably well with standard local density potentials and should simplify extensions towards non-local effects.

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