Summary
A matrix-multiplication based implementation of the two-electron integral transformation is compared to the “optimized” algorithm recently presented by Hurley, Huestis and Goddard. In spite of its poorer operation count, the matrix-multiplication based program runs significantly faster on the Alliant FX/8 than the code described by Hurley et al. Our code also uses much less memory, but requires more disk storage. Trade-offs between the requirements for disk storage, central memory, number of computing elements and CPU time are also discussed.
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Bauschlicher, C.W. An efficient two-electron integral transformation for vector-concurrent computer architectures. Theoret. Chim. Acta 76, 187–193 (1989). https://doi.org/10.1007/BF00527472
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DOI: https://doi.org/10.1007/BF00527472