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Published 3 months ago • verified publisher icon evaleev

Fast algorithms for the Boys function

Open susilehtola opened this issue 3 years ago • 0 comments

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.

susilehtola avatar Mar 30 '22 16:03 susilehtola