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010   $a9786610827022
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010   $a0-470-10659-X
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100   $a20070404d2007      uy             0
101 0 $aeng
135   $aur|n|---|||||
181   $ctxt
182   $cc
183   $acr
200 00$aReduced-density-matrix mechanics $ewith applications to many-electron atoms and molecules /$fedited by David A. Mazziotti
210   $aHoboken, N.J. $cWiley$dc2007
215   $a1 online resource (596 p.)
225 1 $aAdvances in chemical physics ;$vv. 134
300   $aDescription based upon print version of record.
311   $a0-471-79056-7 
320   $aIncludes bibliographical references and index.es.
327   $aREDUCED-DENSITY-MATRIX MECHANICS: WITH APPLICATION TO MANY-ELECTRON ATOMS AND MOLECULES A SPECIAL VOLUME OF ADVANCES IN CHEMICAL PHYSICS VOLUME 134; CONTRIBUTORS TO VOLUME 134; PREFACE; INTRODUCTION; CONTENTS; Part I; CHAPTER 1 N-REPRESENTABILITY; CHAPTER 2 HISTORICAL INTRODUCTION; Part II; CHAPTER 3 VARIATIONAL TWO-ELECTRON REDUCED-DENSITY-MATRIX THEORY; CHAPTER 4 THE LOWER BOUND METHOD FOR DENSITY MATRICES AND SEMIDEFINITE PROGRAMMING; CHAPTER 5 THE T1 AND T2 REPRESENTABILITY CONDITIONS; CHAPTER 6 SEMIDEFINITE PROGRAMMING: FORMULATIONS AND PRIMAL-DUAL INTERIOR-POINT METHODS; Part III
327   $aCHAPTER 7 THEORY AND METHODOLOGY OF THE CONTRACTED SCHRO?DINGER EQUATIONCHAPTER 8 CONTRACTED SCHRO?DINGER EQUATION; CHAPTER 9 PURIFICATION OF CORRELATED REDUCED DENSITY MATRICES: REVIEW AND APPLICATIONS; CHAPTER 10 CUMULANTS, EXTENSIVITY, AND THE CONNECTED FORMULATION OF THE CONTRACTED SCHRO?DINGER EQUATION; CHAPTER 11 GENERALIZED NORMAL ORDERING, IRREDUCIBLE BRILLOUIN CONDITIONS, AND CONTRACTED SCHRO?DINGER EQUATIONS; CHAPTER 12 ANTI-HERMITIAN FORMULATION OF THE CONTRACTED SCHRO?DINGER THEORY; CHAPTER 13 CANONICAL TRANSFORMATION THEORY FOR DYNAMIC CORRELATIONS IN MULTIREFERENCE PROBLEMS; Part IV
327   $aCHAPTER 14 NATURAL ORBITAL FUNCTIONAL THEORYCHAPTER 15 GEMINAL FUNCTIONAL THEORY; CHAPTER 16 LINEAR INEQUALITIES FOR DIAGONAL ELEMENTS OF DENSITY MATRICES; Part V; CHAPTER 17 PARAMETERIZATION OF THE 2-RDM; CHAPTER 18 ENTANGLEMENT, ELECTRON CORRELATION, AND DENSITY MATRICES; AUTHOR INDEX; SUBJECT INDEX
330   $aAn up-to-date account of this cutting-edge research in a consistent and understandable framework, of special interest to experts in other areas of electronic structure and/or quantum many-body theory. It will serve equally well as a self-contained guide to learning about reduced density matrices either through self-study or in a classroom as well as an invaluable resource for understanding the critical advancements in the field.
410  0$aAdvances in chemical physics ;$vv. 134.
606   $aMatrix mechanics
606   $aElectronic structure
608   $aElectronic books.
615  0$aMatrix mechanics.
615  0$aElectronic structure.
676   $a541.3
676   $a541.305
676   $a541/.08
701   $aMazziotti$b David A$0928909
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910143423903321
996   $aReduced-density-matrix mechanics$92087717
997   $aUNINA