Publication record · 18.cifr/1964.hohenberg.dft-inhomogeneous
18.cifr/1964.hohenberg.dft-inhomogeneousThis paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, F[n(r)], independent of v(r), such that the expression E = integral v(r)n(r)dr + F[n(r)] has as its minimum value the correct ground state energy associated with v(r). The functional F[n(r)] alone is sufficient to determine the exact ground state energy and density. Approximations to the functional are discussed within the framework of the slowly varying density.
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The universal functional F[n] remains unknown and must be approximated; improving exchange-correlation functionals beyond LDA is ongoing. Extensions to degenerate ground states, excited states (TDDFT), finite temperature, and strongly correlated systems where LDA fails were flagged as open problems.