Deperturbation analysis of the A1Σ+ and b3Π states of LiRb

Bormotova, E.A.; Pazyuk, E.A.; Stolyarov, A.V.; Pashov, A.

Авторы: Bormotova Ekaterina A., Pazyuk Elena A., Stolyarov Andrey V., Pashov Asen
Сборник: XX Symposium on High Resolution Molecular Spectroscopy HighRus-2023: Abstracts of Reports
Тезисы
Год издания: 2023
Издательство: Издательство НТЛ
Местоположение издательства: Томск
Первая страница: 49
Последняя страница: 49
Номер статьи: D22
Аннотация: There have been many spectroscopic and theoretical studies of the LiRb molecule investigating its electronicstructure both using experimental as well as theoretical methods. Among these is a spectroscopic study [1]investigating the depletion spectra of the A1Σ+-b3Π complex of ultracold molecules, observing 41 vibrational levels(see Fig 1, left) with rotational quantum number J=1. Here we have used the coupled-channel deperturbation modelto describe the singlet-triplet mixing of each level. We used a 2×2 model Hamiltonian, accounting for the spin-orbit(SO) interaction within the complex. Two different methods were used to represent fitting potentials of the mixedstates and SO coupling function. In method 1 both interatomic potentials were approximated using the expandedMorse oscillator function, the coefficients of which were then fitted, in method 2 the initial trial point-wisepotentials were constructed and fitted using cubic splines. In both methods, the fit was additionally constrained byminimizing not only the differences between the experimental and theoretical term values, but also the differencesbetween the fitted potentials and SO coupling and their ab initio counterparts [2]. As a result, the mostexperimental terms were fitted with an accuracy of about 0.02 cm–1, which is comparable with experimentalaccuracy, or better. And only two levels were fit with an accuracy of worse that 0.05 cm–1. Among them is thevibrational level v=9 of the b3Π state, which lies energetically right at the point where the b3Π state intersects withthe repulsive branch of a3Σ+ state. Additionally, we were able to determine the mixing coefficients for allexperimental levels, with the vA=3,6 and vb=10,12 of the A1Σ+ and b3Π states respectively, exhibiting the greatestdegree of mixing.References:1. I. Stevenson, D. Blasing, A. Altaf, Y.P. Chen, D.S. Elliott, H. Ishikawa, N. Nakamura, M. Yoshida, M. Takigawa,P. Babkevich, N. Qureshi, H.M. Rønnow, T. Yajima and Z. Hiroi, Phys. Rev. A 95, 062503 (2016).2. E.A. Bormotova, S.V. Kozlov, E.A. Pazyuk, A.V. Stolyarov, W. Skomorowski, I. Majewska and R. Moszynski, Phys.Rev. A 99, 012507 (2019).
Добавил в систему: Столяров Андрей Владиславович

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