Photodissociation of NaK: Ab initio spin-orbit interactions of the Na (32S) K (42PJ) manifold

Abstract

The relevant interstate b3Π, A1Σ+, c3Σ+, and B1Π spin-orbit induced matrix elements, arising from the Na (3 2S) K (4 2PJ) manifold are treated within the full microscopic Breit–Pauli approximation based on ab initio configuration interaction (CI) wave functions. The determination of these couplings as a function of the internuclear distance of NaK should permit a full treatment of the fine-structure branching ratio K*(4 2P1/2(D1))/K*(4 2P3/2(D2)) in manifold-meditated photodissociation and in the treatment of interstate perturbations. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 75: 693–697, 1999