Hohenberg-Kohn-Sham density-functional theory

HOHENBERG-KOHN-SHAM DENSITY FUNCTIONAL THEORY... 

Hohenberg-Kohn-Sham Density Functional Theory... 

The Hohenberg-Kohn-Sham density functional theory provides the common formal framework for various computational methods. Since each of the methods in use involves approximations, the calculated properties are not exact. Nevertheless, these methods proved to be very useful in chemistry and materials science. The huge and ever growing number of applications (see Figure 2-1) speaks for itself. Frequently,... 

We describe here briefly the Hohenberg-Kohn-Sham density-functional theory for molecules and solids, " to set the stage for the discussion on the linear-.scaling algorithms. 

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