Abstract
The 4503 rovibronic term values belonging to the mutually perturbed and states of were extracted from laser-induced fluorescence (LIF) Fourier-transform spectra with the 0.01- uncertainty. The experimental term values of the complex covering the rotational levels in the excitation energy range were involved into coupled-channel (CC) deperturbation analysis. The deperturbation model takes explicitly into account spin-orbit coupling of the and states as well as spin-rotational interaction between the , 1, and 2 components of the state. The ab initio relativistic calculations on the low-lying electronic states of were accomplished in the framework of Fock-space relativistic coupled cluster (FSRCC) approach to provide the interatomic potentials of the interacting and states as well as the relevant spin-orbit coupling function. To validate the present CC deperturbation analysis solely obtained by energy-based data, the LIF intensity distributions were measured and compared with their theoretical counterparts obtained by means of the nonadiabatic vibrational wave functions of the complex and the FSRCC transition dipole moments calculated by the finite-field method.
4 More- Received 17 June 2019
DOI:https://doi.org/10.1103/PhysRevA.100.042507
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