PAD2

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/)

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