Home › Forums › density functional theory › Hartree-Fock versus DFT › Hartree-Fock or DFT

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  • November 10, 2023 at 4:15 pm #9994
    Nan
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    For such a big system, DFT would be preferred because the reasonable time consumption and precision of the result can be expected, compared to the Hartree-Fock methods, which do not take into account the electron correlation.

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