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

  1. Structural Information Cards
  2. Spectrum Information Cards
  3. General Cards
  4. POT: Scattering potentials
  5. XSPH: Cross-section and phase shifts
  6. FMS: Full multiple scattering
  7. PATHS: Path enumeration
  8. GENFMT: XAFS parameters
  9. FF2CHI: XAFS spectrum
  10. SFCONV: Spectral Function Convolution
  11. EELS: EELS spectrum

Articles in category "Cross-section and phase shifts"

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