Reduced-Density-Matrix Mechanics / Advances in Chemical Physics Bd.134 (PDF)

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.

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.

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