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Fifth conference on reduced density matrices

The articles in this special issue of the International Jouhal of Quantum Chemistry are on reduced density matrix theory.This issue, together with six articles in two previous issues, form the proceedings of a conference on reduced density matrices

International Journal of Quantum ChemistryJun 1, 19780 citations

N-representability of diagonal elements of second-order reduced density matrices

S.Kh. Samvelyan

The problem of pure-state N-representability of the two-particle spin-dependent density function ρ(x1, x2) is considered for an N-electron system, and a procedure for finding an N-representable ρ(x1, x2) is advanced. The problem is formulated in the framework of a family of N × N matrices formed from integrals of auxiliary two-particle functions θn(x1, x2) converging at n → ∞ to ρ(x1, x2)/[N(N−1)]. The simple requirement of positive definiteness of these matrices is shown to play a decisive role in finding an N-representable ρ(x1, x2). The results obtained may open new possibilities for using ρ(x1, x2) in the density-functional theory. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 127–142, 1997The problem of pure-state N-representability of the two-particle spin-dependent density function ρ(x1, x2) is considered for an N-electron system, and a procedure for finding an N-representable ρ(x1, x2) is advanced. The problem is formulated in the framework of a family of N × N matrices formed from integrals of auxiliary two-particle functions θn(x1, x2) converging at n → ∞ to ρ(x1, x2)/[N(N−1)]. The simple requirement of positive definiteness of these matrices is shown to play a decisive role in finding an N-representable ρ(x1, x2). The results obtained may open new possibilities for using ρ(x1, x2) in the density-functional theory. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 127–142, 1997

International Journal of Quantum ChemistryJan 1, 199732 citations

Some Aspects on the Development of the Theory of Reduced Density Matrices and the Representability Problem

Per‐Olov Löwdin

Springer eBooksJan 1, 198716 citations

Some properties of reduced density operators

R. L. Hudson

Some questions concerning reduced density operators are reviewed. A new proof of the condition for Fermionic N-representability of one-particle density operators is given which is based on the functional analytic method of the dual cone. The application of a quantum analog of de Finetti's theorem to the interpretation of quantum theory is described. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 74: 595–599, 1999

International Journal of Quantum ChemistryJan 1, 19992 citations

Density matrices, reduced density matrices, a geometric investigation of their properties, and applications to density functional theory

John E. Harriman

Springer eBooksApr 6, 20084 citations

Linear inequalities for density matrices: III

Ernest R. Davidson

Abstract Diagonal linear inequalities are derived for three‐ and four‐body reduced density matrices. These give a different insight into the previous derivations of linear inequalities for the two‐body reduced density matrix. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

International Journal of Quantum ChemistryAug 13, 200223 citations

Reduced density matrices—Then and now*

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Reduced density matrices—Then and now*

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