The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations

Kirk A. Peterson, Manoj Kumar Kesharwani, Jan M. L. Martin

We have developed and benchmarked a new extended basis set for explicitly correlated calculations, namely cc-pV5Z-F12. It is offered in two variants, cc-pV5Z-F12 and cc- pV5Z-F12(r…