Mazziotti, David A. / Prigogine, I. / Rice, Stuart A. (eds.)
Advances in Chemical Physics
Volume 134: Reduced-Density-Matrix Mechanics. With Application to Many-Electron Atoms and Molecules
Advances in Chemical Physics (Volume 134)
  1. Edition - April 2007
179.- Euro
2007. 574 Pages, Hardcover
ISBN-10: 0-471-79056-7
ISBN-13: 978-0-471-79056-3 - John Wiley & Sons
Sample Chapter
Short description
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.
From the contents
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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