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Global approximation to the Boys functions for vectorized computation
1Chemistry Department, Moscow State University, 119991 Moscow, Russia.
Abstract:
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.
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