THE AB-INITIO MODEL POTENTIAL METHOD - RELATIVISTIC WOOD-BORING VALENCE SPIN-ORBIT POTENTIALS AND SPIN-ORBIT-CORRECTED BASIS-SETS FROM B(Z = 5) TO BA(Z = 56)

The spin-orbit-CI WB-AIMP method[Chem Phys. Lett., 147 (1988) 597; J. Chem. Phys., 102 (1995) 8078] has been recently proposed, monitored an d applied, as a means to include spin-orbit relativistic effects in mo lecular and solid stare effective core potential calculations. Necessa ry ingredients of the method are the valence spin-orbit model potentia ls and the spin-orbit-corrected valence basis sets, which are availabl e in the literature for F-I, Tl-Rn, hTi and Pt; in this work, we obtai n and compile the ones of all the remaining elements of the Periodic T able from boron to barium. (C) 1998 Elsevier Science B.V.