Relativistic many-body calculations of energy levels, hyperfine constants,electric-dipole matrix elements, and static polarizabilities for alkali-metal atoms
Ms. Safronova et al., Relativistic many-body calculations of energy levels, hyperfine constants,electric-dipole matrix elements, and static polarizabilities for alkali-metal atoms, PHYS REV A, 60(6), 1999, pp. 4476-4487
Removal energies and hyperfine constants of the lowest four ns, np(1/2) and
np(3/2) states in Na, K, Rb, and Cs are calculated; removal energies of th
e n=7-10 states and hyperfine constants of the n=7 and 8 states in Pr are a
lso calculated. The calculations are based on the relativistic single-doubl
e (SD) approximation in which single and double excitations of Dirac-Hartre
e-Fock wave functions are included to all orders in perturbation theory. Us
ing SD wave functions, accurate values of removal energies, electric-dipole
matrix elements, and static polarizabilities are obtained; however, SD wav
e functions,give poor values of the magnetic-dipole hyperfine constants for
heavy atoms. To obtain accurate values of the hyperfine constants for heav
y atoms, we include triple excitations partially in the wave functions. The
present calculations provide the basis for reevaluating parity nonconservi
ng amplitudes in Cs and Fr. [S1050-2947(99)06312-X].