Reduced-Density-Matrix Mechanics With

An up-to-date account of this cutting-edge research in a consistent and understandable framework, of special interest to experts in other areas of electronic structure and/or quantum many-body theory. It will serve equally well as a self-contained guide to learning about reduced density matrices either through self-study or in a classroom as well as an invaluable resource for understanding the critical advancements in the field.

David A. Mazziotti is Assistant Professor in the Department of Chemistry at the University of Chicago. His current research interests lie at the intersection of chemistry, physics, biology, and applied mathematics with special interest in advanced electronic structure and quantum control theory.

Stuart Rice is Frank P. Hixon Distinguished Service Professor in the James Franck Institute and the Department of Chemistry at the University of Chicago.

	p. 1
N-Representability	p. 3
Historical Introduction	p. 11
	p. 19
Variational Two-Electron Reduced-Density-Matrix Theory	p. 21
The Lower Bound Method for Density Matrices and Semidefinite Programming	p. 61
The T1 and T2 Representability Conditions	p. 93
Semidefinite Programming: Formulations and Primal-Dual Interior-Point Methods	p. 103
	p. 119
Theory and Methodology of the Contracted Schrodinger Equation	p. 121
Contracted Schrodinger Equation	p. 165
Purification of Correlated Reduced Density Matrices: Review and Applications	p. 205
Cumulants, Extensivity, and the Connected Formulation of the Contracted Schrodinger Equation	p. 261
Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schrodinger Equations	p. 293
Anti-Hermitian Formulation of the Contracted Schrodinger Theory	p. 331
Canonical Transformation Theory for Dynamic Correlations in Multireference Problems	p. 343
	p. 385
Natural Orbital Functional Theory	p. 387
Geminal Functional Theory	p. 429
Linear Inequalities for Diagonal Elements of Density Matrices	p. 443
	p. 485
Parameterization of the 2-RDM	p. 487
Entanglement, Electron Correlation, and Density Matrices	p. 493
Author Index	p. 537
Subject Index	p. 551
Table of Contents provided by Ingram. All Rights Reserved.

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Reduced-Density-Matrix Mechanics With Application to Many-Electron Atoms and Molecules, Volume 134

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Table of Contents

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