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Introduction
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Phys 5870: Modern Computational
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Matrix form of the
Density Functional Theory
Subsections
Introduction
Some considerations about exchange
Functionals and functional derivatives
The Coulomb (Thomas-Fermi) functional
Hohenberg-Kohn theorems
H-K theorem I
H-K theorem II
DFT formalism and derivation of the Kohn-Sham equations
Non-interacting case
Interacting system
The local density approximation - LDA
Limitations
More about exchange
Solution to the Kohn-Sham equations
Pros and Cons of the DFT
Adrian E. Feiguin 2009-11-04
