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: 1190.72 lei
- Preț: 642.45 lei
- 18% Preț: 988.40 lei
- 15% Preț: 516.85 lei
- 18% Preț: 934.73 lei
- Preț: 374.87 lei
- 18% Preț: 1774.93 lei
- 15% Preț: 642.08 lei
- Preț: 378.78 lei
- 15% Preț: 621.27 lei
- 15% Preț: 616.96 lei
- 18% Preț: 870.49 lei
- 15% Preț: 629.36 lei
- 15% Preț: 632.69 lei
- 18% Preț: 864.68 lei
- 15% Preț: 622.22 lei
- 15% Preț: 630.93 lei
- 15% Preț: 627.11 lei
- 15% Preț: 625.85 lei
- 15% Preț: 635.07 lei
- 18% Preț: 929.23 lei
- 15% Preț: 619.34 lei
- 23% Preț: 1043.39 lei
- 15% Preț: 620.78 lei
- 15% Preț: 629.67 lei
- 15% Preț: 619.21 lei
- 15% Preț: 621.74 lei
- Preț: 380.27 lei
- Preț: 379.72 lei
- 15% Preț: 620.30 lei
- 18% Preț: 977.18 lei
- 18% Preț: 709.85 lei
- 15% Preț: 622.04 lei
- 15% Preț: 625.23 lei
- 18% Preț: 1195.65 lei
- 18% Preț: 922.94 lei
- 15% Preț: 624.28 lei
- 15% Preț: 622.22 lei
- 18% Preț: 1193.80 lei
- 15% Preț: 625.05 lei
Preț: 622.22 lei
Preț vechi: 732.02 lei
-15% Nou
Puncte Express: 933
Preț estimativ în valută:
119.09€ • 124.12$ • 99.14£
119.09€ • 124.12$ • 99.14£
Carte tipărită la comandă
Livrare economică 06-20 ianuarie 25
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.