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A polynomial approximation for integral transport calculations

✍ Scribed by E.E. Lewis

Publisher
Elsevier Science
Year
1969
Weight
795 KB
Volume
23
Category
Article
ISSN
0022-3107

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πŸ“œ SIMILAR VOLUMES

Integral approximations for LCAO-SCF cal
Integral approximations for LCAO-SCF calculations
✍ O. Vahtras; J. AlmlΓΆf; M.W. Feyereisen πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 396 KB

Three-center approximations to the four-center integrals occurring in ab initio LCAO calculations are investigated. It is shown that significant gains in computer time can be obtained without sacrificing accuracy, if a suitable expansion basis is chosen.