LARGE MULTICONFIGURATIONAL HARTREE-FOCK CALCULATIONS ON THE HYPERFINE-STRUCTURE CONSTANTS OF THE LI-7 2S 2S AND 2P 2P STATES

Accurate hyperfine-structure parameters for the ground and first excited states of lithium are reported. Hyperfine parameters are calculated from multiconfiguration Hartree-Fock (MCHF) wave functions using a recently written hyperfine-structure program, being a part of the MCHF Atomic Structure Package. Convergence of the hyperfine-structure parameters is studied as the active set of orbitals is increased. The relativistic, finite-nuclear-size, and finite-nuclear-mass-corrected values of the magnetic hyperfine-structure constants of the 2s S-2(1/2) and 2p P-2(1/2,3/2) states of Li-7 were determined to be A1/2=401.70 MHz and A1/2=45.94 MHz, A3/2=3.098 MHz, respectively. The final values are compared with experiments and with the most reliable theoretical values obtained with other methods.