LARGE MULTICONFIGURATIONAL HARTREE-FOCK CALCULATIONS ON THE HYPERFINE-STRUCTURE OF LI(2S) AND LI(2P)

Extensive multiconfigurational Hartree-Fock (MCHF) calculations on the 2S ground state and the 2P excited state of lithium are reported. MCHF problems involving full configuration-interaction calculations within up to 85 orbitals are solved numerically using the finite-element method. Systematic studies of the convergence of the hyperfine parameters with respect to the size of the active space are given. The Fermi contact term of Li(2S) has an accuracy of 0.07%. The Fermi contact, the orbital, the spin-dipolar, and the electric quadrupole terms of Li(2P) have an estimated inaccuracy of 0.7%, 0.13%, 0.15%, and 0.35%, respectively. © 1990 The American Physical Society.