Reduced-density-matrix mechanics : with applications to many-electron atoms and molecules / / edited by David A. Mazziotti
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| Titolo: |
Reduced-density-matrix mechanics : with applications to many-electron atoms and molecules / / edited by David A. Mazziotti
|
| Pubblicazione: | Hoboken, N.J., : Wiley, c2007 |
| Descrizione fisica: | 1 online resource (596 p.) |
| Disciplina: | 541.3 |
| 541.305 | |
| 541/.08 | |
| Soggetto topico: | Matrix mechanics |
| Electronic structure | |
| Soggetto genere / forma: | Electronic books. |
| Altri autori: |
MazziottiDavid A
|
| 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. |
| Titolo autorizzato: | Reduced-density-matrix mechanics |
| ISBN: | 1-280-82702-5 |
| 9786610827022 | |
| 0-470-10660-3 | |
| 0-470-10659-X | |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910143423903321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |
Serie:
Advances in chemical physics ; ; v. 134.