Refinement of Crystal Structures by Computational Methods
نویسندگان
چکیده
منابع مشابه
Refinement of Underdetermined Crystal Structures
The normal matrix for full matrix least squares contains a wealth of information about the behavior of the problem. In particular, the eigenvalues and eigenvectors contain all of the information concerning precision of parameter determination and correlation of parameters. This information is valid even if the refinement is underdetermined. Full-matrix analysis is likely to prove valuable for l...
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ژورنال
عنوان ژورنال: Nihon Kessho Gakkaishi
سال: 2019
ISSN: 0369-4585,1884-5576
DOI: 10.5940/jcrsj.61.224