A new algorithm for computation of X-ray multiple Bragg diffraction

A new method for computation of X-ray multiple Bragg diffraction in perfect crystals is presented. The method is based on the extended dynamical diffraction theory and implies the reduction of the diffraction equations to a generalized eigenvalue problem. The advantage of the proposed approach is the possibility of decreasing the scattering-matrix size and simplifying the solution when some X-ray beams are not grazing. The boundary conditions are also simplified by the analysis of Bloch-wave structure inside the crystal and the proper selection of their polarization states.