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• W2110362378 abstract "Density functional theory for the case of general, N-representable densities is reformulated in terms of density functional derivatives of expectation values of operators evaluated with wave functions leading to a density, making no reference to the concept of potential. The developments provide proof of existence of a mathematical procedure that determines whether a density is v-representable and in the case of an affirmative answer determines the potential (within an additive constant) as a derivative with respect to the density of a constrained search functional. It also establishes the existence of an energy functional of the density that, for v-representable densities, assumes its minimum value at the density describing the ground state of an interacting many-particle system. The theorems of Hohenberg and Kohn emerge as special cases of the formalism. Numerical results for one-dimensional non-interacting systems illustrate the formalism. Some direct formal and practical implications of the present reformulation of DFT are also discussed." @default.
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• W2110362378 date "2016-02-01" @default.
• W2110362378 modified "2023-09-24" @default.
• W2110362378 title "Reformulation of density functional theory for N-representable densities and the resolution of the v-representability problem" @default.
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• W2110362378 doi "https://doi.org/10.1016/j.jpcs.2015.10.006" @default.
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