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Reduced-Density-Matrix Mechanics
With Application to Many-Electron Atoms and Molecules, Volume 134
David A. Mazziotti (Edited by), DA Mazziotti (Author), Stuart A. Rice (Series edited by)
9780471790563, Wiley
Hardback, published 13 April 2007
600 pages
23.6 x 23.6 x 3.2 cm, 0.943 kg
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.
Part I 1 Chapter 1 N-representability 3 Chapter 2 historical Introduction 11 Part II 19 Chapter 3 variational Two-electron Reduced-density-matrix Theory 21 Chapter 4 the Lower Bound Method for Density Matrices And Semidefinite Programming 61 Chapter 5 the T1 and T2 Representability Conditions 93 Chapter 6 semidefinite Programming: Formulations and Primal–dual Interior-point Methods 103 Part III 119 Chapter 7 theory and Methodology of the Contracted Schrödinger Equation 121 Chapter 8 contracted Schrödinger Equation 165 Chapter 9 purification of Correlated Reduced Density Matrices: Review and Applications 205 Chapter 10 Cumulants, Extensivity, and the Connected Formulation of the Contracted Schrödinger Equation 261 Chapter 11 Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schrödinger Equations 293 Chapter 12 Anti-hermitian Formulation of the Contracted Schrödinger Theory 331 Chapter 13 Canonical Transformation Theory for Dynamic Correlations in Multireference Problems 343 Part IV 385 Chapter 14 Natural Orbital Functional Theory 387 Chapter 15 Geminal Functional Theory 429 Chapter 16 Linear Inequalities for Diagonal Elements Of Density Matrices 443 Part V 485 Chapter 17 Parameterization of the 2-rdm 487 Chapter 18 Entanglement, Electron Correlation, And Density Matrices 493 Author Index 537 Subject Index 551
By A. John Coleman
By Mitja Rosina
By David A. Mazziotti
By Robert M. Erdahl
By Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao
By Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita
By C. Valdemoro
By David A. Mazziotti
By D. R. Alcoba
By John M. Herbert and John E. Harriman
By Werner Kutzelnigg and Debashis Mukherjee
By David A. Mazziotti
By Garnet Kin-Lic Chan and Takeshi Yanai
By Mario Piris
By B. C. Rinderspacher
By Paul W. Ayers and Ernest R. Davidson
By A. John Coleman
By Sabre Kais
Subject Areas: Chemistry [PN]
