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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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General Discussion and Conclusion,sity matrix (RDM-2). This difficult problem, first explicitly formulated by A.J. Coleman [1], has not yet been resolved even in its weakened diagonal form. Very general results have been obtained by means of the theory of convex sets, [2]. It seems that the most interesting achievement attained alon
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Theoretical and Practical Contributions, fermion reduced 2-density operators is a convex set and the ground state energy of a system can be determined variationally by minimizing the functional . over the set P. (h. is the reduced hamiltonian). However, a complete characterization of P. has not yet been given. It has been shown [22] that
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Marcella Nicolini,Laura Resminies, with the number of particles n acting as the “charge”. The family of Hartree-Fock-Bogoliubov (HFB) states for the same set of spin orbitals form a set of coherent states that are generating functions for the AGP coherent states for all n. The approximate time evolution of the system generated by
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Marcella Nicolini,Laura Resmini peculiar characteristics of the system at hand. Such information may be used very explicitly, as in the development of Hamiltonian-dependent inequalities, or in a weaker fashion, paying attention to such matters as the sign of the interaction. This latter category is represented in classical lattic
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Jenny Grek,Charlie Karlsson,Johan Klaessonsity matrix representing the state of an N-particle system to the entropy of the corresponding reduced density matrices. One important inequality of this type is.where ρ. is the 1-particle density matrix of the system. The density matrices are normalized so that Trρ. = 1 and Trρ. = N; the upper sign
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Empirical findings from the main studies,variation is constrained by representability conditions but our knowledge of these is incomplete. As a consequence, lower bounds to ground state energies are obtained. This method has been successfully applied to fermion systems and we review some earlier work on light nuclei and the berylium atom.
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Harry Waugh,Simon McIntosh-Smithtom or molecule) can be realized as an idealization of the statistical von Neumann density operator of the ion formed from that pure stationary state in an appropriate sudden ionization experiment. The N-electron Hermitian operator whose matrix representation is the Garrod and Percus G-Matrix (the m
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https://doi.org/10.1007/978-3-030-63393-6ensity 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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