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Finite element basis for the expansion of radial wavefunction in quantum scattering calculations

✍ Scribed by Woonglin Hwang; Yoon Sup Lee; Seung C. Park


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
558 KB
Volume
187
Category
Article
ISSN
0009-2614

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✦ Synopsis


Radial wavefunctions in quantum scattering calculations are expanded in terms of two shape functions for each finite element. This approach is the R matrix version of Kohn's variational method and also directly applicable to Smatrix in the log-derivative version. The linear algebra involved amounts to solving definite banded systems. In this basis set method, R matrix or log-derivative matrix is greatly simplified and the computational effort is linearly proportional to the number of radial basis functions, promising computational efficiencies for large scale calculations. Convergences for test vases are also reasonably rapid.


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