Global approximation to the Boys functions for vectorized computation
Global approximation to the Boys functions for vectorized computation
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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