GENERALIZED RELATIVISTIC EFFECTIVE CORE POTENTIAL .1. NUMERICAL-CALCULATIONS FOR ATOMS HG THROUGH BI

A generalization of the shape-consistent Relativistic Effective Core P otential (RECP) method is developed for the case of pseudospinors that may have nodes. Both valence and outermost core pseudospinors are inc luded in the Generalized RECP generation procedure. The numerical pote ntials have been constructed and the calculations of transition energi es and some other properties have been made for the atoms Hg through B i in the jj-coupling scheme in order to study the treatment of relativ istic effects in the scope of the two-component Generalized RECP appro ach. As compared with the other shape-consistent RECP variants, signif icant improvement is reached when 5s, 5p, and 5d shells are included i n the pseudovalence space. (C) 1995 American Institute of Physics.