PPT Slide

Multiple Scattering Theory of Photoemission

Specific features of the theory for small molecules

1.- Exact calculation of the multiple scattering series in a single

self-consistent step

2.- Effect of the hole in the final wavefunction:

matching to Coulomb wavefunctions in two steps:

- Reexpansion of the final wavefunction in one center.

- Multiple scattering between the cluster and the outer Coulomb shell

(calculation of the coefficients Clm).