Electronic Motion Density Functional Theory DFT

We are on an upper right-hand side branch of the TREE. 

The ultimate goal of the DFT method is the calculation of the total energy of the system and the ground-state electron density distribution without using the wave function of the system. 

The DFT calculations (despite taking electronic correlation into account) are not expensive, their cost is comparable with that of the Hartree-Fock method. Therefore, the same computer power allows us to explore much larger molecules than with other post-Hartree-Fock (correlation) methods. 

The idea of treating electrons in metal as an electron gas was conceived in 1900, independently Lord Kelvin and by Paul Drude. The concept explained the electrical conductivity of metals, and was then used by Llewellyn Hilleth Thomas in The Calculation of Atomic Fields published in Proceeding of the Cambridge Philosophical Society, 23 (1926) 

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