Reduced-Density-Matrix Mechanics
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portes grátis
Reduced-Density-Matrix Mechanics
With Application to Many-Electron Atoms and Molecules, Volume 134
Rice, Stuart A.; Mazziotti, David A.
John Wiley & Sons Inc
04/2007
600
Dura
Inglês
9780471790563
15 a 20 dias
972
Descrição não disponível.
Part I 1
Chapter 1 N-representability 3
By A. John Coleman
Chapter 2 historical Introduction 11
By Mitja Rosina
Part II 19
Chapter 3 variational Two-electron Reduced-density-matrix Theory 21
By David A. Mazziotti
Chapter 4 the Lower Bound Method for Density Matrices And Semidefinite Programming 61
By Robert M. Erdahl
Chapter 5 the T1 and T2 Representability Conditions 93
By Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao
Chapter 6 semidefinite Programming: Formulations and Primal-dual Interior-point Methods 103
By Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita
Part III 119
Chapter 7 theory and Methodology of the Contracted Schroedinger Equation 121
By C. Valdemoro
Chapter 8 contracted Schroedinger Equation 165
By David A. Mazziotti
Chapter 9 purification of Correlated Reduced Density Matrices: Review and Applications 205
By D. R. Alcoba
Chapter 10 Cumulants, Extensivity, and the Connected Formulation of the Contracted Schroedinger Equation 261
By John M. Herbert and John E. Harriman
Chapter 11 Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schroedinger Equations 293
By Werner Kutzelnigg and Debashis Mukherjee
Chapter 12 Anti-hermitian Formulation of the Contracted Schroedinger Theory 331
By David A. Mazziotti
Chapter 13 Canonical Transformation Theory for Dynamic Correlations in Multireference Problems 343
By Garnet Kin-Lic Chan and Takeshi Yanai
Part IV 385
Chapter 14 Natural Orbital Functional Theory 387
By Mario Piris
Chapter 15 Geminal Functional Theory 429
By B. C. Rinderspacher
Chapter 16 Linear Inequalities for Diagonal Elements Of Density Matrices 443
By Paul W. Ayers and Ernest R. Davidson
Part V 485
Chapter 17 Parameterization of the 2-rdm 487
By A. John Coleman
Chapter 18 Entanglement, Electron Correlation, And Density Matrices 493
By Sabre Kais
Author Index 537
Subject Index 551
Chapter 1 N-representability 3
By A. John Coleman
Chapter 2 historical Introduction 11
By Mitja Rosina
Part II 19
Chapter 3 variational Two-electron Reduced-density-matrix Theory 21
By David A. Mazziotti
Chapter 4 the Lower Bound Method for Density Matrices And Semidefinite Programming 61
By Robert M. Erdahl
Chapter 5 the T1 and T2 Representability Conditions 93
By Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao
Chapter 6 semidefinite Programming: Formulations and Primal-dual Interior-point Methods 103
By Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita
Part III 119
Chapter 7 theory and Methodology of the Contracted Schroedinger Equation 121
By C. Valdemoro
Chapter 8 contracted Schroedinger Equation 165
By David A. Mazziotti
Chapter 9 purification of Correlated Reduced Density Matrices: Review and Applications 205
By D. R. Alcoba
Chapter 10 Cumulants, Extensivity, and the Connected Formulation of the Contracted Schroedinger Equation 261
By John M. Herbert and John E. Harriman
Chapter 11 Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schroedinger Equations 293
By Werner Kutzelnigg and Debashis Mukherjee
Chapter 12 Anti-hermitian Formulation of the Contracted Schroedinger Theory 331
By David A. Mazziotti
Chapter 13 Canonical Transformation Theory for Dynamic Correlations in Multireference Problems 343
By Garnet Kin-Lic Chan and Takeshi Yanai
Part IV 385
Chapter 14 Natural Orbital Functional Theory 387
By Mario Piris
Chapter 15 Geminal Functional Theory 429
By B. C. Rinderspacher
Chapter 16 Linear Inequalities for Diagonal Elements Of Density Matrices 443
By Paul W. Ayers and Ernest R. Davidson
Part V 485
Chapter 17 Parameterization of the 2-rdm 487
By A. John Coleman
Chapter 18 Entanglement, Electron Correlation, And Density Matrices 493
By Sabre Kais
Author Index 537
Subject Index 551
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
introduction; historical; variational; david; twoelectron reduceddensitymatrix theory; density matrices; bound; lower; robert; method; bastiaan; conditions; formulations; mituhiro; methods; semidefinite; fukuda; interiorpoint; methodology
Part I 1
Chapter 1 N-representability 3
By A. John Coleman
Chapter 2 historical Introduction 11
By Mitja Rosina
Part II 19
Chapter 3 variational Two-electron Reduced-density-matrix Theory 21
By David A. Mazziotti
Chapter 4 the Lower Bound Method for Density Matrices And Semidefinite Programming 61
By Robert M. Erdahl
Chapter 5 the T1 and T2 Representability Conditions 93
By Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao
Chapter 6 semidefinite Programming: Formulations and Primal-dual Interior-point Methods 103
By Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita
Part III 119
Chapter 7 theory and Methodology of the Contracted Schroedinger Equation 121
By C. Valdemoro
Chapter 8 contracted Schroedinger Equation 165
By David A. Mazziotti
Chapter 9 purification of Correlated Reduced Density Matrices: Review and Applications 205
By D. R. Alcoba
Chapter 10 Cumulants, Extensivity, and the Connected Formulation of the Contracted Schroedinger Equation 261
By John M. Herbert and John E. Harriman
Chapter 11 Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schroedinger Equations 293
By Werner Kutzelnigg and Debashis Mukherjee
Chapter 12 Anti-hermitian Formulation of the Contracted Schroedinger Theory 331
By David A. Mazziotti
Chapter 13 Canonical Transformation Theory for Dynamic Correlations in Multireference Problems 343
By Garnet Kin-Lic Chan and Takeshi Yanai
Part IV 385
Chapter 14 Natural Orbital Functional Theory 387
By Mario Piris
Chapter 15 Geminal Functional Theory 429
By B. C. Rinderspacher
Chapter 16 Linear Inequalities for Diagonal Elements Of Density Matrices 443
By Paul W. Ayers and Ernest R. Davidson
Part V 485
Chapter 17 Parameterization of the 2-rdm 487
By A. John Coleman
Chapter 18 Entanglement, Electron Correlation, And Density Matrices 493
By Sabre Kais
Author Index 537
Subject Index 551
Chapter 1 N-representability 3
By A. John Coleman
Chapter 2 historical Introduction 11
By Mitja Rosina
Part II 19
Chapter 3 variational Two-electron Reduced-density-matrix Theory 21
By David A. Mazziotti
Chapter 4 the Lower Bound Method for Density Matrices And Semidefinite Programming 61
By Robert M. Erdahl
Chapter 5 the T1 and T2 Representability Conditions 93
By Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao
Chapter 6 semidefinite Programming: Formulations and Primal-dual Interior-point Methods 103
By Mituhiro Fukuda, Maho Nakata, and Makoto Yamashita
Part III 119
Chapter 7 theory and Methodology of the Contracted Schroedinger Equation 121
By C. Valdemoro
Chapter 8 contracted Schroedinger Equation 165
By David A. Mazziotti
Chapter 9 purification of Correlated Reduced Density Matrices: Review and Applications 205
By D. R. Alcoba
Chapter 10 Cumulants, Extensivity, and the Connected Formulation of the Contracted Schroedinger Equation 261
By John M. Herbert and John E. Harriman
Chapter 11 Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schroedinger Equations 293
By Werner Kutzelnigg and Debashis Mukherjee
Chapter 12 Anti-hermitian Formulation of the Contracted Schroedinger Theory 331
By David A. Mazziotti
Chapter 13 Canonical Transformation Theory for Dynamic Correlations in Multireference Problems 343
By Garnet Kin-Lic Chan and Takeshi Yanai
Part IV 385
Chapter 14 Natural Orbital Functional Theory 387
By Mario Piris
Chapter 15 Geminal Functional Theory 429
By B. C. Rinderspacher
Chapter 16 Linear Inequalities for Diagonal Elements Of Density Matrices 443
By Paul W. Ayers and Ernest R. Davidson
Part V 485
Chapter 17 Parameterization of the 2-rdm 487
By A. John Coleman
Chapter 18 Entanglement, Electron Correlation, And Density Matrices 493
By Sabre Kais
Author Index 537
Subject Index 551
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
