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Density functional approach to the many-body problem

book
Language:
Author: Robert van Leeuwen
Url: http://theochem.chem.rug.nl/publications/PDF/ft425.pdf
Format: Pdf
Category: Density Functional Theory
Pages: 78
Clicks: 2288

Description
We give an overview of the fundamental concepts of density functional theory. We give a careful discussion of the several density functionals and their di®erentiability properties. We show that for nondegenerate ground states we can calculate the necessary functional derivatives by means of linear response theory, but that there are some di®erentiability problems for degenerate ground states. These problems can be overcome by extending the domains of the functionals. We further show that for every interacting v-representable density we can ¯nd a noninteracting v-representable density arbitrarily close and show that this is su±cient to set up a Kohn-Sham scheme. We ¯nally describe two systematic approaches for the construction of density functionals.

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