Rotated coordinate system chosen in the algorithm. The z-axis is chosen parallel to the interatomic vector AB and the x-axis is then chosen perpendicular to both AB and CD.
FLOP counts for various types of shells in the segmented and general contraction versions of the ERIs evaluation algorithm developed in the present work.a–c
FLOP counts for the segmented ERI algorithms PRISM CCTTT and ACE-b3k3.a
FLOP countsa for Ishida's ACE-b3k3 algorithm for general contraction over spherical harmonics.b
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