2ND-ORDER MULTICONFIGURATIONAL DIRAC-FOCK CALCULATIONS ON BORON-LIKE IONS

Second-order multiconfigurational Dirac-Fock self-consistant-field cal culations are reported for the ground and low-lying excited states of boronlike ions, Ne+5, P+10, Ca+15, Mn+20, Zn+25, and Mo+37. Relativity alters an important class of strong configuration interaction, asympt otic CT, along the isoelectronic sequence, and multiconfigurational Di rac-Fock self-consistent-field calculations including n = 2 and n = 3 complexes are sufficient to accurately predict fine-structure splittin gs for larger Z, while for small Z, it is necessary to accurately acco unt for the remaining dynamical correlation. (C) 1998 John Wiley & Son s, Inc.