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Fast algorithms for the Boys function #244

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susilehtola opened this issue Mar 30, 2022 · 0 comments
Open

Fast algorithms for the Boys function #244

susilehtola opened this issue Mar 30, 2022 · 0 comments

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@susilehtola
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Hi Ed,

since libint2 computes the Boys function, I just wanted to make sure you're aware of J. Chem. Phys. 155, 174117 (2021) where Sandeep and Gregory have developed a new fast way to compute the Boys function, and also provide the necessary Fortran implementations.
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@susilehtola