A fast reciprocal space method for image simulation

In this paper, we introduce a fast reciprocal space method for image simulation. It is well known that the scattering matrix (SM) P with N x N elements consists of N different structure factors and N different excitation errors. However, most structure factors of the SM P are extremely small so that they can be neglected. Therefore, the size of the SM P is reduced drastically. On the other hand, the structure factors have two-dimensional space group symmetries, so that by reducing the symmetry related structure factors to symmetrically independent structure factors, the size of the SM P can be reduced further. The calculation speed based on the simplified SM P will be several hundred times faster than that by other conventional methods. In this paper, we describe the method for how to reduce the SM P in detail and give an example of implementation. (C) 2008 Elsevier B.V. All rights reserved.