High-resolution diatomic spectroscopy near the dissociation threshold

Stolyarov, A.V.

Автор: Stolyarov Andrey V.
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: 149
Последняя страница: 149
Номер статьи: O1
Аннотация: Bound, quasi-bound and continuum rovibronic states located near the dissociation threshold play a key role inthe formation of stable molecular ensembles in photo-association, magneto-association and stimulated Ramanadiabatic passage (STIRAP) of colliding ultracold atoms [1]. The same molecular states are also tightly involved inthe contra verse process, namely: photo and collisionally induced the dissociation of molecules normally takingplace at the elevated temperature. Laser-induced fluorescence of the so-called non-diagonal electronic transitionscombined with a high-resolution Fourier-transform spectroscopy (FTS-LIF) often can provide all three boundbound, bound-quasibound and bound-continuum parts of the molecular spectra, simultaneously.Here we focus on global deperturbation analysis of diatomic states converging to the common atomic limit.The main challenge of the rigorous deperturbation treatment of these mutually perturbed states is based on theissues [2]:(1) all bound, quasi-bound and continuum states should be simultaneously treated within the framework of theexactly same (uniform) quantum-chemical approximation (model);(2) the conventional adiabatic approximation completely breakdowns on the dissociation: non-relativisticstates become degenerate; hence, spin-orbit and hyperfine interactions should be taken into accounted explicitly;(3) the last bound levels are localized in the extremely wide range of internuclear distance (R>100-1000 Å)(4) highly accurate ab initio electronic structure calculations are needed to have got the reliable estimates ofpotential energy curves and non-adiabatic matrix elements of all states treated in a wide range of R.By the example of high-resolution FTS-LIF spectra of KCs [3-5] molecule and sub-Doppler laser spectroscopyof the K2 dimer produced in the molecular beam [6], we demonstrate that the developed coupled-channeldeperturbation model which takes into account for spin-orbit coupling effect and Fermi-contact hyper fineinteractions can manage to represent both non-adiabatic energies and radiative transition probabilities of the fullymixed electronic states localized near the dissociation threshold with the unprecedentedly high spectroscopicaccuracy.This work has been supported by the Russian Science Foundation (grant No. 23-13-00207,https://rscf.ru/project/23-13-00207/).References:1. E.A. Pazyuk, A.V. Zaitsevskii, A.V. Stolyarov, M. Tamanis, R. Ferber. Russ. Chem. Rev. 84(10):1001 (2015).2. E.A. Pazyuk, V.I. Pupyshev, A.V. Zaitsevskii, A.V. Stolyarov. Russ. J. Phys. Chem. A 93(10):1865 (2019).3. I. Klincare, M. Tamanis, R. Ferber, E.A. Pazyuk, A.V. Stolyarov, I. Havalyova, A. Pashov. J. Quant. Spectr. Rad.Trans. 292, 108351 (2022).4. V. Krumins, A. Kruzins, M. Tamanis, R. Ferber, V. Meshkov, E. Pazyuk, A. Stolyarov, A. Pashov. J. Chem. Phys. 156,114305 (2022).5. V. Krumins, M. Tamanis, R. Ferber, A.V. Oleynichenko, L.V. Skripnikov, A. Zaitsevskii, E.A. Pazyuk, A.V. Stolyarov,A. Pashov. J. Quant. Spectr. Rad. Trans. 283, 108124 (2022).6. St. Falke, I. Sherstov, E. Tiemann, Ch. Lisdat, J. Chem. Phys. 125, 224303 (2006).
Добавил в систему: Столяров Андрей Владиславович

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High-resolution diatomic spectroscopy near the dissociation thresholdтезисы доклада

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