The LMTO Method: Muffin-Tin Orbitals and Electronic Structure: Springer Series in Solid-State Sciences, cartea 41
Autor Hans L. Skriveren Limba Engleză Paperback – 22 dec 2011
Din seria Springer Series in Solid-State Sciences
- 18%
Preț: 919.81 lei - 18%
Preț: 1765.85 lei - 18%
Preț: 978.08 lei - 15%
Preț: 511.60 lei - 18%
Preț: 921.36 lei -
Preț: 371.20 lei - 18%
Preț: 1756.15 lei - 15%
Preț: 635.48 lei -
Preț: 375.07 lei - 15%
Preț: 614.90 lei - 15%
Preț: 610.63 lei - 18%
Preț: 861.43 lei - 15%
Preț: 622.91 lei - 15%
Preț: 626.20 lei - 18%
Preț: 855.69 lei - 15%
Preț: 615.84 lei - 15%
Preț: 624.46 lei - 15%
Preț: 620.68 lei - 15%
Preț: 619.45 lei - 15%
Preț: 628.56 lei - 18%
Preț: 919.54 lei - 15%
Preț: 613.00 lei - 23%
Preț: 1129.30 lei - 15%
Preț: 614.41 lei - 15%
Preț: 623.22 lei - 15%
Preț: 612.85 lei - 15%
Preț: 615.35 lei -
Preț: 376.55 lei -
Preț: 376.01 lei - 15%
Preț: 613.94 lei - 18%
Preț: 966.98 lei - 18%
Preț: 702.51 lei - 15%
Preț: 615.66 lei - 15%
Preț: 618.83 lei - 18%
Preț: 1183.12 lei - 18%
Preț: 1178.23 lei - 18%
Preț: 913.32 lei - 15%
Preț: 617.89 lei - 15%
Preț: 615.84 lei - 18%
Preț: 1181.26 lei
Preț: 615.84 lei
Preț vechi: 724.52 lei
-15% Nou
Puncte Express: 924
Preț estimativ în valută:
108.96€ • 126.94$ • 95.15£
108.96€ • 126.94$ • 95.15£
Carte tipărită la comandă
Livrare economică 19 ianuarie-02 februarie 26
Preluare comenzi: 021 569.72.76
Specificații
ISBN-13: 9783642818462
ISBN-10: 3642818463
Pagini: 300
Ilustrații: X, 286 p.
Dimensiuni: 155 x 235 x 16 mm
Greutate: 0.42 kg
Ediția:Softcover reprint of the original 1st ed. 1984
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Springer Series in Solid-State Sciences
Locul publicării:Berlin, Heidelberg, Germany
ISBN-10: 3642818463
Pagini: 300
Ilustrații: X, 286 p.
Dimensiuni: 155 x 235 x 16 mm
Greutate: 0.42 kg
Ediția:Softcover reprint of the original 1st ed. 1984
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Springer Series in Solid-State Sciences
Locul publicării:Berlin, Heidelberg, Germany
Public țintă
ResearchCuprins
1. Introduction.- 1.1 The One-Electron Approximation.- 1.2 The Energy-Band Problem.- 1.3 Energy-Band Methods.- 1.4 Brief History of Linear Methods.- 1.5 Organisation of the Book.- 2. Canonical Band Theory.- 2.1 Muffin-Tin Orbitals and Tail Cancellation.- 2.2 Structure Constants and Canonical Bands.- 2.3 Potential Function and the Wigner-Seitz Rule.- 2.4 Potential Parameters, Unhybridised, and Hybridised Bands.- 2.5 Hybridised Canonical Theory.- 2.6 State Densities and Energy Scaling.- 3. One-Electron States in a Single Sphere.- 3.1 Radial Basis Functions.- 3.2 Partial Waves and Their Energy Derivatives.- 3.3 Logarithmic Derivative and Laurent Expansion.- 3.4 Potential Function and Bandwidth.- 3.5 Matrix Elements and Variational Estimate of Energies.- 4. Physically Significant Parameters.- 4.1 The Four Potential Parameters.- 4.2 How to Choose Ev?.- 4.3 Chromium 3d Bands: An Example.- 4.4 Free-Electron Potential Parameters.- 4.5 Volume Derivatives of Potential Parameters.- 4.6 Potential Parameter Relations.- 5. The Linear Method.- 5.1 Partial Waves for a Single Muffin-Tin.- 5.2 Muffin-Tin Orbitals.- 5.3 Expansion Theorem for MTO Tails.- 5.4 Energy-Independent Muffin-Tin Orbitals.- 5.5 One-Centre Expansion and Structure Constants.- 5.6 The LCMTO Secular Matrix.- 5.7 The LMTO Method.- 6. The Atomic-Sphere Approximation (ASA).- 6.1 The Kinetic Energy K2.- 6.2 An Error Estimate.- 6.3 The Atomic Sphere and the ASA.- 6.4 The Canonical Structure Constants.- 6.5 Muffin-Tin Orbitals in the ASA.- 6.6 Relation Between the LMTO and KKR Matrices.- 6.7 Wave Functions and ? Character.- 6.8 Projected State Density and Density of Electrons.- 6.9 The Combined Correction Term.- 7. Ground-State Properties.- 7.1 Cohesive Properties.- 7.2 Density-Functional Theory.- 7.3 Self-ConsistentBand-Structure Problem.- 7.4 Electronic Pressure Relation.- 7.5 First-Order Pressure Relation.- 7.6 Chromium: An Example.- 8. Many Atoms per Cell.- 8.1 Molecules and Clusters.- 8.2 The LMTO Formalism.- 8.3 Total Energy and Self-Consistent Energy Bands.- 9. Computer Programmes.- 9.1 The Self-Consistency Loop.- 9.2 Structure Constant Programme STR.- 9.3 Correction Structure Constant Programme COR.- 9.4 Linear Muffin-Tin Orbital Programme LMTO.- 9.5 Projected State-Density Programme DDNS.- 9.6 The Self-Consistency Programme SCFC.- 10. Self-Consistent Potential Parameters for 61 Metals.- 11. List of Symbols.- References.