A fast, direct algorithm for the least-s
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Zong Jie Liu; Roland Van Rapenbusch
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Article
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1988
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John Wiley and Sons
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English
โ 337 KB
๐ 2 views
By use of rotation angle method a direct algorithm is derived, which determines the least-squares superposition that matches two sets of atomic coordinates. The program based on this algorithm runs fast. The solution obtained by this algorithm cannot be trapped by any local minimum. Testing examples