Observation and modelling of bound-free transitions to the $X^1\Sigma^+$ and $a^3\Sigma^+$ states of KCs

Krumins, V.; Kruzins, A.; Tamanis, M.; Ferber, R.; Meshkov, V.; Pazyuk, E.; Stolyarov, A.; Pashov, A.

Авторы: Krumins Valts, Kruzins Artis, Tamanis Maris, Ferber Ruvin, Meshkov Vladimir, Pazyuk Elena, Stolyarov Andrey, Pashov Asen
Журнал: Journal of Chemical Physics
Том: 156
Год издания: 2022
Издательство: AIP Publishing
Местоположение издательства: United States
Первая страница: 114305
DOI: 10.1063/5.0082309
Аннотация: The oscillation continuum in laser-induced fluorescence spectra of bound-free $c^3\Sigma^+ \to a^3\Sigma^+$ and (4)$^1\Sigma^+ \to X^1\Sigma^+$ transitions of the KCs molecule were recorded by Fourier-transform spectrometer and modeled under the adiabatic approximation. The required interatomic potentials for ground $a^3\Sigma^+$ and $X^1\Sigma^+$ states were reconstructed in an analytical Chebyshev-polynomial-expansion form in the framework of the regularization direct-potential-fit procedure based on the simultaneous consideration of experimental line positions from [R. Ferber et al, Phys. Rev. A, \textbf{80}, 062501 (2009)] and the present \emph{ab initio} calculation of short-range repulsive potential data. It was proved that the repulsive part over dissociation limit of the derived $a^3\Sigma^+$ potential reproduces the experiment better than the potentials reported in the literature. It is also shown that all empirical and semi-empirical potentials available for the $X^1\Sigma^+$ state reproduces the bound-free (4)$^1\Sigma^+ \to X^1\Sigma^+$ spectrum with equal quality in the range of observations.
Добавил в систему: Столяров Андрей Владиславович

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Observation and modelling of bound-free transitions to the $X^1\Sigma^+$ and $a^3\Sigma^+$ states of KCsстатья Исследовательская статья

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