10.02.2012

DENSITY FUNCTIONAL THEORY










Density functional theory is a successful approach for describing the ground state properties of metals, semiconductors, and insulators, for both standard bulk materials and more complex materials. The interacting system of electrons is described via its density and not via its many-body wave function. For N electrons in a solid this means that the basic variable of the system depends only on the three spatial coordinates, rather than 3N degrees of freedom.


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