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We apply the Multireference Rayleigh Schrödinger Perturbation Theory of second order to obtain the adiabatic potential energy surface of the 14A'2 electronic groundstate and the 24E' excited state of K3 and Rb3. Both trimers show a typical E×e Jahn-Teller distortion in their 24E' state, which is analyzed in terms of the relativistic Jahn-Teller effect theory. Linear, quadratic as well as spin-orbit coupling terms are extracted from the ab initio results and used to obtain theoretical spectra for a direct comparison to laser-induced fluorescence and magnetic circular dichroism spectra of alkali-doped helium nanodroplets [Auböck et al. J. Chem Phys. 114501 (2008)]. |
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