引用本文:
侯永庚, 马志梅, 傅亨. 测定晶体结构的系统试差法的研究(II)系统位相超解方程得改进[J]. 物理化学学报,
1991, 7(04): 449-455.
doi:
10.3866/PKU.WHXB19910414
Citation: Hou Yong-Geng, Ma Zhi-Mei, Fu Heng. Studies of Trial and Error Methof for Crystal Structural Determinations(II)——Modifications of the Super-Solution Phase Eqation[J]. Acta Physico-Chimica Sinica, 1991, 7(04): 449-455. doi: 10.3866/PKU.WHXB19910414
Citation: Hou Yong-Geng, Ma Zhi-Mei, Fu Heng. Studies of Trial and Error Methof for Crystal Structural Determinations(II)——Modifications of the Super-Solution Phase Eqation[J]. Acta Physico-Chimica Sinica, 1991, 7(04): 449-455. doi: 10.3866/PKU.WHXB19910414
测定晶体结构的系统试差法的研究(II)系统位相超解方程得改进
摘要:
本文证明了|E(k)E(h-k)|的大小是由结构决定的。与原点无关, 在这种认识的基础上, 提出了用归一化结构振幅|E|估量它的三种模式。特别是通过四位相结构不变量的二级Noighborhood~[1,2]原理解决三位相不变量间的匹配问题而算出的|E(k)E(h-k)|_(QE), 这是在没有位相数据的情况下对它的理想的估量。予期它能改进系统试差法中位相超解方程的功能, 提高测得位相的准确性。
-
关键词:
- 位相方程; 结构不变量; 直接法
English
Studies of Trial and Error Methof for Crystal Structural Determinations(II)——Modifications of the Super-Solution Phase Eqation
Abstract:
In this paper, it is demonstrated that |E(k)E(h-k)| is a structure invari ant. On the basis of this knowledge, three models, which can be used to estimate the value of |E(k)E(h-k)| from normalized structure amplitudes |E|, are proposed. In particular, |E(k)E(h-k)|_(QE), which is deduced from the second neighborhood principle of quartet structure invariants, is an ideal estimation of |E(k)E(h-k)| with known phase lacks. It is expected that |E(k)E(h-k)|_(QE) will improve the function of super-solution phase equation in systematical trial and error method and increase the accuracy of the phase values to be determined.
扫一扫看文章
计量
- PDF下载量: 2318
- 文章访问数: 3348
- HTML全文浏览量: 104
下载:
