Titlebook: Density Matrices and Density Functionals; Proceedings of the A Robert Erdahl,Vadene H. Smith Conference proceedings 1987 D. Reidel Publishi

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Variational Principle with Built-In Pure State N-Representability Conditions. The N-Electron Case,ensity operator corresponding to a pure-state. This expression is obtained in the context of a variational procedure where a minimum is sought for the internal energy functional., subject to the following conditions: a) that at all stages of variation. where P. is the set of pure-state nth-order den

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Wigner Distributions as Representations of the Density Matrix,asis on associating the quasi probability distributions with density matrices. The relation between reduced phase space distributions and reduced density matrices is derived. The time independent Schrodinger equation is used to write the eigenvalue equation for the quasi probability distributions an

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The Interface Between Reduced Density Matrices and Density Functional Theory, functional theory. One of the most fundamental ideas is that a density should be thought of as arising from an . density matrix rather than necessarily from a wavefunction. One can then take advantage of the convexity of the set of n- representable density matrices, and a number of the formal probl

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https://doi.org/10.1007/978-94-009-3855-7Atom; Boson; Schrödinger equation; crystallography; decomposition; density; development; electron; entropy; g

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Aleksandar Čolić,Oge Marques,Borko Furhte of those memorable mid-night sessions at Sanibel when we were discussing N-representability, Per-Olov sprang forward, took the chalk from my hand and demanded — ‘Have you considered the more general problem of ensemble representability?’”A non-pure state being a convex combination of pure, the col