Reduced-density-matrix mechanics : with applications to many-electron atoms and molecules / / edited by David A. Mazziotti

• Record Nr.: UNINA9910143423903321
• Pubbl/distr/stampa: Hoboken, N.J., : Wiley, c2007
• ISBN: 1-280-82702-5; 9786610827022; 0-470-10660-3; 0-470-10659-X
• Descrizione fisica: 1 online resource (596 p.)
• Collana: Advances in chemical physics ; ; v. 134
• Altri autori (Persone): MazziottiDavid A
• Disciplina: 541.3; 541.305; 541/.08
• Soggetti: Matrix mechanics; Electronic structure; Electronic books.
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.es.
• Nota di contenuto: 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 III; CHAPTER 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 IV; CHAPTER 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
• Sommario/riassunto: 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.