Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
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DOI: 10.48550/arxiv.2210.03192
Abstract: To improve the efficiency of Gaussian integral evaluation on modern accelerated architectures, FLOP-efficient Obara-Saika-based recursive evaluation schemes are optimized for the memory footprint. For the 3-center 2-particle integrals that are key for the evaluation of… read more here.
Keywords: recursive evaluation; evaluation; center; efficient recursive ... See more keywords