Fourier-transform spectroscopy, relativistic electronic structure calculation, and coupled-channel deperturbation analysis of the fully mixed A1Σu+ and b3Πu states of Cs2

A. Znotins, A. Kruzins, M. Tamanis, R. Ferber, E. A. Pazyuk, A. V. Stolyarov, and A. Zaitsevskii
Phys. Rev. A 100, 042507 – Published 17 October 2019
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Abstract

The 4503 rovibronic term values belonging to the mutually perturbed A1Σu+ and b3Πu states of Cs2 were extracted from laser-induced fluorescence (LIF) AbX1Σg+ Fourier-transform spectra with the 0.01-cm1 uncertainty. The experimental term values of the A1Σu+b3Πu complex covering the rotational levels J[4,395] in the excitation energy range [9655,13630]cm1 were involved into coupled-channel (CC) deperturbation analysis. The deperturbation model takes explicitly into account spin-orbit coupling of the A1Σu+(A0u+) and b3Π0u+(b0u+) states as well as spin-rotational interaction between the Ω=0, 1, and 2 components of the b3ΠΩu+ state. The ab initio relativistic calculations on the low-lying electronic states of Cs2 were accomplished in the framework of Fock-space relativistic coupled cluster (FSRCC) approach to provide the interatomic potentials of the interacting A0u+ and b0u+ states as well as the relevant Ab spin-orbit coupling function. To validate the present CC deperturbation analysis solely obtained by energy-based data, the AbX(vX) LIF intensity distributions were measured and compared with their theoretical counterparts obtained by means of the nonadiabatic vibrational wave functions of the Ab complex and the FSRCC AbX transition dipole moments calculated by the finite-field method.

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  • Received 17 June 2019

DOI:https://doi.org/10.1103/PhysRevA.100.042507

©2019 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

A. Znotins, A. Kruzins, M. Tamanis, and R. Ferber*

  • Laser Center, Department of Physics, University of Latvia, 19 Rainis blvd, Riga LV-1586, Latvia

E. A. Pazyuk, A. V. Stolyarov, and A. Zaitsevskii

  • Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Leninskie gory 1/3, Russia

  • *ferber@latnet.lv
  • Also at Petersburg Nuclear Physics Institute named by B. P. Konstantinov of National Research Center “Kurchatov Institute”, 188300 Gatchina, Leningrad District, Russia.

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Issue

Vol. 100, Iss. 4 — October 2019

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