Static electric dipole polarizabilities for isoelectronic sequences

Static electric dipole polarizabilities α d ( Z , N ) from numerical nonrelativistic restricted Hartree‐Fock (RHF) finite‐field calculations for closed‐shell atoms and isoelectronic ions with N ≤ 120 electrons are presented. For those sequences where the electronic ground state of the neutral or nearly neutral members is conserved upon increase of the nuclear charge number Z , i.e., for the nine sequences with N = 2, 4, 10, 12, 18, 28, 30, 36, or 46 electrons, systems with total charge number Q = Z − N varying in the range − 1 ≤ Q ≤ 90 were considered and their polarizability data fitted to rational functions of Q , with maximum absolute value of the relative error below 3%. The results presented here provide reference data (i) for algebraic approaches relying on basis functions and (ii) for the discussion of relativistic and correlation effects on polarizabilities along isoelectronic sequences. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011