ABSTRACT

Elements in the same group or column tend to have the same valence. Thus, it is the quantum mechanical shell structure of the atom that creates the periodic variation of chemical properties. For Z ≤ 36, relativistic corrections and nonzero nuclear radii have only small effects, but these effects increase with increasing Z. The periodic table can further be broken down into an s block, with valence s electrons,

16.1 Introduction: Periodic Table ......................................................................... 345 16.2 Kohn-Sham Calculations in the Limit of Large Z .......................................346 Acknowledgments .................................................................................................. 347 References ..............................................................................................................348

a p block, and various d, f, etc., transition blocks. The two columns of the s block and the six columns of the p block (the chemical “octaves”) shall be discussed here. The discussion assumes that the atomic subshells ll according to the empirical Madelung rule [1], in which orbitals with principal quantum number n and orbital angular momentum quantum number l ll in order of increasing n + l.