Category:Cross-section and phase shifts
XSPH: Cross-section and phase shifts
Relativistic dipole matrix elements (alpha form) are calculated using atomic core and normalized continuum wave functions. Polarization dependence is optionally incorporated in the dipole-operator. Scattering phase shifts are determined by matching at the muffin-tin radius.
FEFF is designed to calculate absorption from completely filled shells. You can try to simulate absorption from valence electrons with FEFF, but you may get unreliable results. If you encounter difficulties and need valence shell absorption, please contact the authors.
Control Card Categories
- Structural Information Cards
- Spectrum Information Cards
- General Cards
- POT: Scattering potentials
- XSPH: Cross-section and phase shifts
- FMS: Full multiple scattering
- PATHS: Path enumeration
- GENFMT: XAFS parameters
- FF2CHI: XAFS spectrum
- SFCONV: Spectral Function Convolution
- EELS: EELS spectrum
Articles in category "Cross-section and phase shifts"There are 7 articles in this category.