Home Forums density functional theory second Hohenberg-Kohn theorem second Hohenberg-Kohn theorem

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    Farzaneh
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    Although the first Hohenberg–Kohn theorem rigorously proves that a functional of the electron density E[n0] exists, the second Hohenberg–Kohn theorem states that ‘the electron density that minimizes the energy of the overall functional is the true electron density corresponding to the full solutions of the Schrödinger equation’. If the true functional form is known, then one can try to minimize the energy by varying the electron density, in order to find the ground state electron density.

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