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

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

David A. Mazziotti (Editor), Stuart A. Rice (Series Editor)

ISBN: 978-0-470-10659-4

Apr 2007

300 pages

$213.99

Description

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.
Part I.

CHAPTER 1: N-REPRESENTABILITY (A. John Coleman).

CHAPTER 2: HISTORICAL INTRODUCTION (Mitja Rosina).

Part II.

CHAPTER 3: VARIATIONAL TWO-ELECTRON REDUCED-DENSITY-MATRIX THEORY (David A. Mazziotti).

CHAPTER 4: THE LOWER BOUND METHOD FOR DENSITY MATRICES AND SEMIDEFINITE PROGRAMMING (Robert M. Erdahl).

CHAPTER 5: THE T1 AND T2 REPRESENTABILITY CONDITIONS (Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao).

CHAPTER 6: SEMIDEFINITE PROGRAMMING: FORMULATIONS AND PRIMAL–DUAL INTERIOR-POINT METHODS (Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita).

Part III.

CHAPTER 7: THEORY AND METHODOLOGY OF THE CONTRACTED SCHRO¨ DINGER EQUATION (By C. Valdemoro)

CHAPTER 8: CONTRACTED SCHRO¨ DINGER EQUATION (By David A. Mazziotti).

CHAPTER 9: PURIFICATION OF CORRELATED REDUCED DENSITY MATRICES: REVIEW AND APPLICATIONS (By D. R. Alcoba).

CHAPTER 10: CUMULANTS, EXTENSIVITY, AND THE CONNECTED FORMULATION OF THE CONTRACTED SCHRO¨ DINGER EQUATION (By John M. Herbert and John E. Harriman).

CHAPTER 11: GENERALIZED NORMAL ORDERING, IRREDUCIBLE BRILLOUIN CONDITIONS, AND CONTRACTED SCHRO¨ DINGER EQUATIONS (By Werner Kutzelnigg and Debashis Mukherjee).

CHAPTER 12: ANTI-HERMITIAN FORMULATION OF THE CONTRACTED SCHRO¨ DINGER THEORY (By David A. Mazziotti).

CHAPTER 13: CANONICAL TRANSFORMATION THEORY FOR DYNAMIC CORRELATIONS IN MULTIREFERENCE PROBLEMS (By Garnet Kin-Lic Chan and Takeshi Yanai).

Part IV.

CHAPTER 14: NATURAL ORBITAL FUNCTIONAL THEORY (By Mario Piris).

CHAPTER 15: GEMINAL FUNCTIONAL THEORY (By B. C. Rinderspacher).

CHAPTER 16: LINEAR INEQUALITIES FOR DIAGONAL ELEMENTS OF DENSITY MATRICES (By Paul W. Ayers and Ernest R. Davidson).

Part V.

CHAPTER 17: PARAMETERIZATION OF THE 2-RDM (A. John Coleman).

CHAPTER 18: ENTANGLEMENT, ELECTRON CORRELATION, AND DENSITY MATRICES (By Sabre Kais).

AUTHOR INDEX.

SUBJECT INDEX.