Rijk basis set for argon

[mariavd]

Hello,

What is the auxiliary JK basis set of choice for argon when performing CCSD(F12*) calculations? It seems that the correlated cc-pVTZ-F12 is not listed. Can I use def2-TZVP instead?

-Maria

[gunnar.schmitz]

Dear Maria,

in the case of argon it is not really a choice. The basis set library contains only one JK basis definition for ar (with multiple names starting from SVP up to def2-QZVPP), but the basis is quite large an should be sufficient for your case.

Best wishes,
Gunnar