Geometry of density matrices. II. Reduced density matrices and N representability

John E. Harriman
Phys. Rev. A 17, 1257 – Published 1 April 1978
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Abstract

The reduction of density matrices defined with respect to a finite basis set is considered. A basis set can be introduced into the vector space of Hermitian matrices acting on functions of the coordinates of p particles for each value of p. An analogy with the construction of spin eigenfunctions is used to obtain a particular basis set called the reducing basis. Reduction of one of these basis elements is either one to one or maps into the origin. Any element in the preimage of a density matrix can thus be resolved into two components, one uniquely determined by the density matrix and the other arbitrary within a certin subset. A restatement of the N-representability problem is given, and two sufficient conditions and one necessary condition for N representability are given in terms of distances and norms.

  • Received 28 April 1977

DOI:https://doi.org/10.1103/PhysRevA.17.1257

©1978 American Physical Society

Authors & Affiliations

John E. Harriman

  • Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin 53706

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Issue

Vol. 17, Iss. 4 — April 1978

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