Title: MP2-F12 Basis Set Convergence for the S66 Noncovalent Interactions Benchmark: Transferability of the Complementary Auxiliary Basis Set (CABS),
Abstract: Complementary auxiliary basis sets for F12 explicitly correlated calculations
appear to be more transferable between orbital basis sets than has been
generally assumed. We also find that aVnZ-F12 basis sets, originally developed
with anionic systems in mind, appear to be superior for noncovalent
interactions as well, and propose a suitable CABS sequence for them.