114 citations · 185 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2016★ 114 cited
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?
Nitai Sylvetsky, Kirk A. Peterson, Amir Karton +1
In the context of high-accuracy computational thermochemistry, the valence CCSD correlation component of molecular atomization energies present the most severe basis set convergenc…
physics.chem-ph2014★ 71 cited
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…