Energy and radiative properties of the low-lying NaRb statesстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 29 мая 2015 г.
Аннотация:Many-body multipartitioning perturbation theory (MPPT) was applied to calculate the potential energy of 11 lowest electronic states of the NaRb molecule, A,C-(1)Sigma (+)-X(1)Sigma (+), B,D (1)Pi -X(1)Sigma (+), D (1)Pi -A (1)Sigma (+) and D (1)Pi -B (1)Pi transition dipole moments, as well as nonadiabatic L-uncoupling matrix elements between the examined (1)Pi and four lowest (1)Sigma (+) states for both (NaRb)-Na-23-Rb-85 and (NaRb)-Na-23-Rb-87 isotopomers. The relevant MPPT ab initio matrix elements and energy curves were converted by means of the approximate sum rule to radiative lifetimes and Lambda -doubling constants (q factors) for the particular rovibronic levels of the B (1)Pi and D (1)Pi states. The theoretical lifetimes agree well with their experimental counterparts for both B (II)-I-1 and D in states. The q factor estimates obtained in the singlet-singlet approximation are in good agreement with the experimental ones for the D (1)Pi (1 less than or equal tov’less than or equal to 12;7 less than or equal toJ’less than or equal to 50) levels, exhibiting a pronounced difference for the B (1)Pi state. Considerably better agreement was achieved by accounting for the spin-orbit perturbation effect caused by the near-lying c(3)Sigma (+) state. Relative intensity distributions in the D (1)Pi–>X (1)Sigma (+) dispersed fluorescence spectra excited by fixed Ar+ laser lines were measured for v’(J’) = 0(44), 1(104), 4(25), 6(44,120), 10(36), and 12(50) D (1)Pi levels. The experimental intensities and term values were simultaneously embedded in the nonlinear least-square fitting procedure to refine the D (1)Pi potential.