International
Tables for Crystallography Volume B Reciprocal space Edited by U. Shmueli © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. B. ch. 2.2, pp. 223-224
Section 2.2.5.7. Determinantal formulae
aDipartimento Geomineralogico, Campus Universitario, I-70125 Bari, Italy |
In a crystal structure with N identical atoms the joint probability distribution of n normalized s.f.'s under the following conditions:
Advantages, limitations and applications of determinantal formulae can be found in the literature (Heinermann et al., 1979; de Rango et al., 1975, 1985). Taylor et al. (1978) combined K–H determinants with a magic-integer approach. The computing time, however, was larger than that required by standard computing techniques. The use of K–H matrices has been made faster and more effective by de Gelder et al. (1990) (see also de Gelder, 1992). They developed a phasing procedure (CRUNCH) which uses random phases as starting points for the maximization of the K–H determinants.
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