Mazziotti Reduced-Density-Matrix Mechanics

With Application to Many-Electron Atoms and Molecules, Volume 134
1. Auflage 2007
ISBN: 978-0-470-10659-4
Verlag: John Wiley & Sons
Format: PDF
Kopierschutz: Adobe DRM (»Systemvoraussetzungen)

E-Book, Englisch, Band 134, 600 Seiten, E-Book

Reihe: Advances in Chemical Physics

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.

Autoren/Hrsg.

Mazziotti, David A.

Weitere Mitwirkende

Rice, Stuart A.

Inhaltsverzeichnis

Part I.
CHAPTER 1: N-REPRESENTABILITY (A. John Coleman).
CHAPTER 2: HISTORICAL INTRODUCTION (Mitja Rosina).
Part II.
CHAPTER 3: VARIATIONAL TWO-ELECTRON REDUCED-DENSITY-MATRIXTHEORY (David A. Mazziotti).
CHAPTER 4: THE LOWER BOUND METHOD FOR DENSITY MATRICES ANDSEMIDEFINITE PROGRAMMING (Robert M. Erdahl).
CHAPTER 5: THE T1 AND T2 REPRESENTABILITY CONDITIONS (BastiaanJ. Braams, Jerome K. Percus, and Zhengji Zhao).
CHAPTER 6: SEMIDEFINITE PROGRAMMING: FORMULATIONS ANDPRIMAL-DUAL INTERIOR-POINT METHODS (Mituhiro Fukuda, MahoNakata, 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 CONNECTEDFORMULATION OF THE CONTRACTED SCHRO¨ DINGER EQUATION (By JohnM. Herbert and John E. Harriman).
CHAPTER 11: GENERALIZED NORMAL ORDERING, IRREDUCIBLE BRILLOUINCONDITIONS, AND CONTRACTED SCHRO¨ DINGER EQUATIONS (By WernerKutzelnigg and Debashis Mukherjee).
CHAPTER 12: ANTI-HERMITIAN FORMULATION OF THE CONTRACTEDSCHRO¨ DINGER THEORY (By David A. Mazziotti).
CHAPTER 13: CANONICAL TRANSFORMATION THEORY FOR DYNAMICCORRELATIONS IN MULTIREFERENCE PROBLEMS (By Garnet Kin-Lic Chan andTakeshi Yanai).
Part IV.
CHAPTER 14: NATURAL ORBITAL FUNCTIONAL THEORY (By MarioPiris).
CHAPTER 15: GEMINAL FUNCTIONAL THEORY (By B. C.Rinderspacher).
CHAPTER 16: LINEAR INEQUALITIES FOR DIAGONAL ELEMENTS OF DENSITYMATRICES (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 DENSITYMATRICES (By Sabre Kais).
AUTHOR INDEX.
SUBJECT INDEX.

Über Autor(innen)

David A. Mazziotti is Assistant Professor in the Departmentof Chemistry at the University of Chicago. His current researchinterests lie at the intersection of chemistry, physics, biology,and applied mathematics with special interest in advancedelectronic structure and quantum control theory.
Stuart Rice is Frank P. Hixon Distinguished ServiceProfessor in the James Franck Institute and the Department ofChemistry at the University of Chicago.