“…To begin with, the results of analytical [136,137] and numerical [106,138] calculations for H, C, N, O, Na, Si, P, S, and K atoms supplemented with recent experimental data for atomic Rb [99] were involved for this purpose. Then, we included in the fit data set the results of quantum chemical calculations performed under various multireference approximations for a number of small and medium-sized molecules (H 2 , C 2 , OH, CO, N 2 , O 2 , H 2 O, HO 2 , H 2 S, O 3 , CH 2 O, C 2 H 4 , acetone) [16,24,93,104,108,109,132,133,[139][140][141] and by using the EOM-CC approach for several quite large heterocyclic compounds (pyrimidine, s-tetrazine, uracil, and pnitroaniline).…”