Grover R F, McKenzie D R
Department of Applied Physics, School of Physics A28, The University of Sydney, Sydney, NSW 2006, Australia.
Acta Crystallogr A. 2001 Nov;57(Pt 6):739-40. doi: 10.1107/s0108767301012624. Epub 2001 Oct 26.
The Debye equation gives the spherically averaged diffracted intensity from a group of atoms and is exact under the first Born, or kinematic, approximation. Algebraic simplifications are developed for calculating multiplicities in the double summation and are used in a new algorithm for implementing this equation. The results for cubic, body-centred cubic and face-centred cubic systems agree exactly with previous methods while achieving substantial computational advantage.
德拜方程给出了一组原子的球对称平均衍射强度，并且在第一玻恩近似或运动学近似下是精确的。为了计算双重求和中的多重性，我们进行了代数简化，并将其用于实现该方程的新算法中。立方、体心立方和面心立方体系的结果与先前方法完全一致，同时具有显著的计算优势。
