The origin of Lambda-doubling effect for the B (1)Pi and D (1)Pi states of NaKстатья
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Аннотация:The origin of Lambda -doubling effect (q factors) for the regularly perturbed NaK B (1)Pi and D (1)Pi states has been investigated by means of ab initio many-body multipartitioning perturbation theory calculation of the electronic L-uncoupling matrix elements between the examined (1)Pi and five lowest (1)Sigma (+) states for both (23)Na(39)K and (23)Na(41)K isotopomers. The hypothesis of pure precession was found to be valid for the B (1)Pi -A (1)Sigma (+) and D (1)Pi -C (1)Sigma (+) pairs of the interacted states, while the unique perturber approximation works properly for the D (1)Pi state and completely breaks down for the B (1)Pi state. The theoretical rovibronic q-factor values estimated for both states by means of the approximate sum rule agree well with their experimental counterparts and demonstrate high sensitivity to vibrational and rotational quantum numbers. (C) 2000 American Institute of Physics. [S0021-9606(00)30743-7].