“…In the correlation calculations 20 electrons of Hf and F were included explicitly while 60 (1s..4f ) electrons of Hf were modeled by the GRECP operator. For the calculations we have used the [12,16,16,10,8]/(6,5,5,3,1) basis set for Hf and [14,9,4,3]/(4,3,2,1) ANO-I basis set for F [44] used previously [12,[45][46][47]. The uncertainty of the calculation for the considered off-diagonal electronic matrix element (5) (which has two-electron excitation as a leading contributions and therefore determined by pure correlation effects) can be estimated as 50% which is enough for the current purposes.…”