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DFT

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**DFT**

What is DFT?

Density Functional Theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using DFT, the properties of a many-electron system can be determined by using functionals, which are functions of another function (the spatially varying electron density).

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