|  | Mazziotti, David A. / Prigogine, I. / Rice, Stuart A. (Hrsg.)
Advances in Chemical Physics
Volume 134: Reduced-Density-Matrix Mechanics. With Application to Many-Electron Atoms and Molecules
Advances in Chemical Physics (Band 134)
 1. Auflage April 2007
195,- Euro
2007. 574 Seiten, Hardcover
ISBN 978-0-471-79056-3 - John Wiley & Sons
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| Kurzbeschreibung
Advances in Chemical Physics is the only series of volumes available that explores the cutting edge of research in chemical physics, providing the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 131 offers an up-to-date overview of two-electron reduced density matrices, a topic of long-standing interest to theoretical chemists researching electronic structure theory.
Aus dem Inhalt
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.
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