Potential-driven adiabatic connection in density functional theory

Details Potential-driven adiabatic connection in density functional theory Potential-driven adiabatic connection in density functional theory

2009-02-15

arxiv.org/abs/0902.2543v1

Physics

Chemical Physics

Scientific paper

As density functional theory conventionally assumes that the density of a chosen model system (e.g., the Kohn-Sham system) is the same as the exact one, one might expect that approximations to the exact density introduce supplementary errors by falsifying the density. In fact, this is not true: by modelling the exchange-correlation holes for all densities, density functional approximations avoid this problem. The technique used to show it is a potential-driven adiabatic connection which hopefully will also permit constructing new approximations in the spirit of DFT.

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