Zabloudil J., Hammerling R., Szunyogh L., Weinberger P. Electron Scattering in Solid Matter: A Theoretical and Computational Treatise

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размер 12.98 МБ
добавлен 19 августа 2011 г.

Springer-Verlag, Berlin, 2005, 379 p.
ntroduction
Preliminary definitions
Multiple scattering
Shape functions
Non-relativistic single-site scattering for spherically symmetric potentials
Non-relativistic full potential single-site scattering
Spin-polarized non-relativistic single-site scattering
Relativistic single-site scattering for spherically symmetric potentials
Relativistic full potential single-site scattering
Spin-polarized relativistic single-site scattering for spherically symmetric potentials
Spin-polarized relativistic full potential single-site scattering
Scalar-relativistic single-site scattering for spherically symmetric potentials
Scalar-relativistic full potential single-site scattering
Phase shifts and resonance energies
Structure constants
Green’s functions: an in-between summary
The Screened KKR method for two-dimensional translationally invariant systems
Charge and magnetization densities
The Poisson equation and the generalized Madelung problem for two- and three-dimensional translationally invariant systems
Near field corrections
Practical aspects of full-potential calculations
Total energies
The Coherent Potential Approximation
The embedded cluster method
Magnetic configurations – rotations of frame
Related physical properties

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