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DFT calculations of molecules and solids
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Mohammad Salavati onto DFT @ 3:45 am on 24 Dec 2017
This lecture introduces first principles electronic structure calculations of materials properties. It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.
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Mohammad Salavati onto DFT @ 3:16 am on 24 Dec 2017
