Many-Electron Densities and Reduced Density Matrices: Mathematical and Computational Chemistry
Editat de Jerzy Cioslowskien Limba Engleză Hardback – 30 sep 2000
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Specificații
ISBN-13: 9780306464546
ISBN-10: 0306464543
Pagini: 320
Ilustrații: XIV, 301 p.
Dimensiuni: 183 x 260 x 23 mm
Greutate: 0.8 kg
Ediția:2000
Editura: Springer Us
Colecția Mathematical and Computational Chemistry
Seria Mathematical and Computational Chemistry
Locul publicării:New York, NY, United States
ISBN-10: 0306464543
Pagini: 320
Ilustrații: XIV, 301 p.
Dimensiuni: 183 x 260 x 23 mm
Greutate: 0.8 kg
Ediția:2000
Editura: Springer Us
Colecția Mathematical and Computational Chemistry
Seria Mathematical and Computational Chemistry
Locul publicării:New York, NY, United States
Public țintă
ResearchCuprins
I. Properties of Reduced Density Matrices.- 1. RDMs: How Did We Get Here?.- 2. Some Theorems on Uniqueness and Reconstruction of Higher-Order Density Matrices.- 3. Cumulant Expansions of Reduced Densities, Reduced Density Matrices, and Green’s Functions.- 4. On Calculating Approximate and Exact Density Matrices.- II. The Contracted Schr?dinger Equation.- 5. Density Equation Theory in Chemical Physics.- 6. Critical Questions Concerning Iterative Solution of the Contracted Schrödinger Equation.- 7. Cumulants and the Contracted Schrödinger Equation.- III. Density Matrix Functional Theory.- 8. Natural Orbital Functional Theory.- 9. The Pair Density in Approximate Density Functional Theory: The Hidden Agent.- 10. Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Hooke’s Atom.- IV. Electron Intracule and Extracule Densities.- 11. Intracule and Extracule Densities: Historical Perspectives and Future Prospects.- 12. Topology of Electron Correlation.- 13. Electron-Pair Densities of Atoms.