Zhanghao

Zhanghao

Alea iacta est.

notes on Density Functional Theory (DFT)

less than 1 minute read

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About local and non-local functional: https://physics.stackexchange.com/questions/121816/local-versus-non-local-functionals variation of functionals: Mathematical Physics p.1051 deduction from many body electronic potential to hatree potential and exchange energy. https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Advanced_Theoretical_Chemistry_(Simons)/06%3A_Electronic_Structure/6.03%3A_The_Hartree-Fock_Approximation

So, what assumption is made in hatree fock? As in above notes says, hatree fock equation can be deduced with variational minimization of schrodinger equation with slater-determinant wave-function, so, the approximation must lies in the wave-function.

about the correlation energy: https://en.wikipedia.org/wiki/Electronic_correlation

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