Reduced Density Matrices: Coulson's Challenge / Edition 1

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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.

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Product Details

  • ISBN-13: 9783540671480
  • Publisher: Springer Berlin Heidelberg
  • Publication date: 5/25/2000
  • Series: Lecture Notes in Chemistry Series, #72
  • Edition description: 2000
  • Edition number: 1
  • Pages: 282
  • Product dimensions: 9.21 (w) x 6.14 (h) x 0.63 (d)

Table of Contents

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.- 3.7.1 For LiH.- 3.7.2 For H2O.- 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.

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