The problem one encounters at the outset is that if one examines the R dependence of the coefficients |C| 2 /(|C| 2 + |I| 2 ) and |I| 2 /(|C| 2 + |I| 2 ); this has been plotted in Fig. . Namely, one spots that such naturally defined covalency exhibits a clear unphysical behavior in the limit R → ∞, when the molecular states should reduce to the parent atomic Slater states. To avoid this basic deficiency the concept of atom-icity was involved and discussed in detail in the main text. Along with the explicit wave func- tion expression (cf. Eqs.( ) and ( )) in main text), one can obtain the corresponding expression for the physical densities ( )-( ).