Computation of photo-electron and Auger-electron diffraction II: multiple scattering cluster calculation, PAD2. Nature of problem: The program PAD2 evaluates the transmission matrix relating the wavefunction of an electron immediately after its emission from an atom to its wavefunction outside a sample, where it may be detected. This matrix is expressed in an angular-momentum basis centered on the emitting atom. Solution method: The electron transmission matrix is evaluated by means of an algorithm which first calculates the scattering matrices of a series of concentric shells centered on the emitter. The scattering between the shells is computed by matrix operations on the shell scattering matrices. Both the intra- and inter-shell scattering may be evaluated by taking account of all multiple scattering processes, or by a choice of approximation schemes of increasing accuracy (and of required computer (Source: http://cpc.cs.qub.ac.uk/summaries/)
Keywords for this software
References in zbMATH (referenced in 3 articles , 1 standard article )
Showing results 1 to 3 of 3.
- Gunnella, R.; Solal, F.; Sébilleau, D.; Natoli, C.R.: MSPH: A full multiple scattering code for low energy photoelectron diffraction (2000)
- Chen, X.; Saldin, D.K.: Computation of photolectron and Auger-electron diffraction. I: Preparation of input data for the cluster calculation PAD1 (1998)
- Harp, G.R.; Ueda, Y.; Chen, X.; Saldin, D.K.: Computation of photo-electron and Auger-electron diffraction. II: Multiple scattering cluster calculation PAD2 (1998)