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- W1966998495 abstract "The energy of a physical domain within a molecular system considered as a quantum open system is analyzed as a functional of the electron distribution dependence with the number of particles. Our attention is focused upon the constrained-search functionals of the electron density, the 1- and 2-reduced density matrices (1-, 2-RDMs) for grand-canonical states. It is shown that functionals of the 2-RDM depend on the number of particles if the ground state energy is not a convex function of them. © 2014 Elsevier B.V. All rights reserved." @default.
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- W1966998495 date "2014-02-01" @default.
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- W1966998495 title "Energy dependence with the number of particles: Density and reduced density matrices functionals" @default.
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- W1966998495 doi "https://doi.org/10.1016/j.cplett.2013.12.071" @default.
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