Del 72 - Lecture Notes in Chemistry

Reduced Density Matrices

Coulson’s Challenge

Häftad, Engelska, 2000

Av A.J. Coleman, V.I. Yukalov, A. J. Coleman, V. I. Yukalov

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The authors demonstrate that the essential information about order in, and energy levels of physical systems is encapsulated in the second order reduced density matrix. They have discovered an algorithm to obtain a reasonable accurate expression for the 2-matrix of an N-particle state to make nearly all properties of matter which are of interest to chemists and physicists accessible.

Produktinformation

Utgivningsdatum2000-04-14
Mått155 x 235 x 17 mm
Vikt458 g
FormatHäftad
SpråkEngelska
SerieLecture Notes in Chemistry
Antal sidor282
Upplaga2000
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783540671480

Tillhör följande kategorier

1 Basic properties.- 1.1 Reduced Density Matrices.- 1.2 N-representability.- 1.3 Norbs, Nags and Least Squares.- 1.4 Fock Space.- 1.5 Reduced Density Matrices on Fock Space.- 1.6 Unitary Invariance.- 1.7 Notes.- 1.8 Exercises.- 2 N-Representability.- 2.1 The p-rank of a State.- 2.2 Convexity.- 2.3 Ensemble N-representability.- 2.4 A Family of Convex Surfaces.- 2.5 Parameterizing.- 2.6 The Total Energy.- 2.7 The One-matrix.- 2.8 Notes.- 2.9 Exercises.- 2.10 Appendix — Figures for Chapter 2.- 3 Correlation.- 3.1 Sasaki’s Formula.- 3.2 Bounds on for fermions.- 3.3 Necessary Conditions.- 3.4 A Universal Fermion Model.- 3.5 Strong Orthogonality.- 3.6 Unitary Decomposition.- 3.7 Reduced Hamiltonian Orbitals.- 3.8 Intracules, extracules and Statistics.- 3.9 Notes for Chapter 3.- 3.10 Exercises for Chapter 3.- 3.11 Appendix — The Pfaffian.- 4 Generalized AGP.- 4.1 Canonical form for g(12).- 4.2 Properties of GAGP.- 4.3 Extreme AGP.- 4.4 Scope of GAGP.- 4.5 Error Control.- 4.6 The GAGP Energy.- 4.7 Critical values of E.- 4.8 Hartree-Fock-Bogolubov Equations.- 4.9 Notes.- 4.10 Exercises.- 5 Boson Systems.- 5.1 Yang’s Paper.- 5.2 Order Indices.- 5.3 Green’s Functions and Propagators.- 5.4 Bose Condensation.- 5.5 Mesoscopic Condensation.- 5.6 Bose Liquid.- 5.7 Collective Excitations.- 5.8 Notes.- 6 Fermion Systems.- 6.1 The Superconducting Transition.- 6.2 Heterophase Superconductor.- 6.3 Notes.- 6.4 Figures.- 7 Coulson’s Challenge.- 7.1 The Reduced Hamiltonian.- 7.2 Pairon Distribution function.- 7.3 Facing the Challenge!.- 7.4 Notes.