EFFECTIVE SPATIAL AVERAGING FOR NMR 2ND MOMENT CALCULATION

A very effective method of spatial averaging for Van Vleck's second mo ment calculation for polycrystalline materials with internal rotation of atoms is presented. Compared with other methods of spatial averagin g described in literature, the method presented in this paper is tens of times faster. The details of calculation presented in this paper en able their immediate application in numerical evaluation of the second moment for structures with internal reorientation. (C) 1998 Academic Press.