Correction to "The ANO-R Basis Set".

Abstract

In the publication of the ANO-R basis set, inconsistencies occurred in the contraction levels for a small number of.(Table Presented) elements. We have now corrected the contraction levels of the erroneous basis set contractions, and in Table 1, we provide a list with the inconsistent and corrected contraction levels. The inconsistent contraction levels were furthermore used in the basis set file that was supplied as Supporting Information in our publication. In this correction, we therefore supply an updated version of the basis set files including the complete ANO-R basis sets for all elements H−Rn. In addition, in Table 2 in the original publication of the ANO-R basis set, the contraction levels of several basis sets were erroneously reported−although they were given correctly in the Supporting Information. In Table 2, we provide a list with correct contraction levels that were also used in the basis set files provided with the original publication. In addition, we provide an updated version of Table 2 of the original ANO-R publication in Table 3 in this correction. (Table Presented). (Less)