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Global approximation to the Boys functions for vectorized computation

Global approximation to the Boys functions for vectorized computation

来源:Arxiv_logoArxiv
英文摘要

A fast approximation to the Boys functions (related to the lower incomplete gamma function of half-integer parameter) by a single closed-form analytical expression for all argument values have been developed and tested. Besides the exponential function needed anyway for downward recursion, it uses a small number of addition, multiplication, division, and square root operations, and thus is straightforward to vectorize.

Dimitri N. Laikov

化学

Dimitri N. Laikov.Global approximation to the Boys functions for vectorized computation[EB/OL].(2025-04-10)[2025-05-12].https://arxiv.org/abs/2504.07637.点此复制

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