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Many-Electron Densities and Reduced Density Matrices pp 209–230Cite as

Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Hooke’s Atom

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Abstract

A long-standing problem in density matrix theory is that of the N-representability of the reduced p-matrices (or of the reduced p-particle density operators) [1–3]. The cases for p = 1 and p = 2 corresponding to the reduced 1- and 2-matrices, respectively, have been of particular importance in this theory. The latter still lacks a complete solution, although much progress has been accomplished in setting up several N-representability conditions [4–13] and in developing alternative approaches to this problem [14]. The former has been solved for the case of ensembles [1] but still remains unsolved for pure states [15].

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Authors and Affiliations

  1. Centro de Química Instituto Venezolano de Investigaciones Científicas, IVIC, Apartado 21827, Caracas, 1020-A, Venezuela

    E. V. Ludeña, V. Karasiev, A. Artemiev & D. Gómez

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  1. E. V. Ludeña
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  2. V. Karasiev
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  3. A. Artemiev
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  4. D. Gómez
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Editors and Affiliations

  1. Florida State University, Tallahassee, Florida, USA

    Jerzy Cioslowski

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Ludeña, E.V., Karasiev, V., Artemiev, A., Gómez, D. (2000). Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Hooke’s Atom. In: Cioslowski, J. (eds) Many-Electron Densities and Reduced Density Matrices. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4211-7_10

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  • DOI: https://doi.org/10.1007/978-1-4615-4211-7_10

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  • Print ISBN: 978-1-4613-6890-8

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