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The tight-binding approximation
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Phys 5870: Modern Computational
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Pros and Cons of
Methods for band-structure calculations
Subsections
The tight-binding approximation
General case: Linear Combination of Atomic Orbitals
Example 5.1: Single s band
Some remarks on the tight-binding method
Limitations of the tight-binding model
Plane Waves
Matrix elements
Orthogonalized plane waves
The Pseudopotential Method
Construction of pseudopotentials
Empirical pseudo-potentials
The cellular (Wigner-Seitz) method
Remarks about the cellular method
The Muffin-tin potential
The Augmented plane-wave method (APW)
Matching the boundary conditions
Matrix elements
Some remarks about the APW method
The LAPW method
Adding electron-electron interactions
Adrian E. Feiguin 2009-11-04
