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Non-interacting ensemble-Vs representable

Are there any remedies in sight within approximate Kohn-Sham density functional theory to get correct energies connected with physically reasonable densities, i. e., without having to use wrong, that is symmetry broken, densities In many cases the answer is indeed yes. But before we consider the answer further, we should point out that the question only needs to be asked in the context of the approximate functionals for degenerate states and related problems outlined above, an exact density functional in principle also exists. The real-life solution is to employ the non-interacting ensemble-Vs representable densities p intro-... [Pg.74]


See other pages where Non-interacting ensemble-Vs representable is mentioned: [Pg.68]    [Pg.51]    [Pg.68]    [Pg.51]   


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Ensemble v-representability

Interaction representation

Non-ensemble

Non-interacting

Representations interaction representation

V-representability

V-representation

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