03892nam 2200673Ia 450 991102015250332120200520144314.0978661082702297812808270201280827025978047010660004701066039780470106594047010659X(CKB)1000000000354532(EBL)290279(SSID)ssj0000234394(PQKBManifestationID)11175912(PQKBTitleCode)TC0000234394(PQKBWorkID)10240730(PQKB)10357919(MiAaPQ)EBC290279(OCoLC)123505431(Perlego)2774399(EXLCZ)99100000000035453220070404d2007 uy 0engur|n|---|||||txtccrAdvances in chemical physics[electronic resource] Volume 134Reduced-density-matrix mechanics with applications to many-electron atoms and molecules /edited by David A. MazziottiHoboken, N.J. Wileyc20071 online resource (596 p.)Advances in chemical physics ;v. 134Description based upon print version of record.9780471790563 0471790567 Includes bibliographical references and index.es.REDUCED-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 IIICHAPTER 7 THEORY AND METHODOLOGY OF THE CONTRACTED SCHRÖDINGER EQUATIONCHAPTER 8 CONTRACTED SCHRÖDINGER EQUATION; CHAPTER 9 PURIFICATION OF CORRELATED REDUCED DENSITY MATRICES: REVIEW AND APPLICATIONS; CHAPTER 10 CUMULANTS, EXTENSIVITY, AND THE CONNECTED FORMULATION OF THE CONTRACTED SCHRÖDINGER EQUATION; CHAPTER 11 GENERALIZED NORMAL ORDERING, IRREDUCIBLE BRILLOUIN CONDITIONS, AND CONTRACTED SCHRÖDINGER EQUATIONS; CHAPTER 12 ANTI-HERMITIAN FORMULATION OF THE CONTRACTED SCHRÖDINGER THEORY; CHAPTER 13 CANONICAL TRANSFORMATION THEORY FOR DYNAMIC CORRELATIONS IN MULTIREFERENCE PROBLEMS; Part IVCHAPTER 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 INDEXAn 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.Advances in chemical physics ;v. 134.Matrix mechanicsElectronic structureMatrix mechanics.Electronic structure.541.3541.305541/.08Mazziotti David A1842656MiAaPQMiAaPQMiAaPQBOOK9911020152503321Advances in chemical physics4422841UNINA