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Theoretical investigation of the electronic properties of alkali atoms interacting with helium rare gas using a pseudopotential approach

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Abstract

In this work, electronic properties of alkali atoms interacting with helium rare gas (CsHe and RbHe) are studied through a full configuration interaction calculation, in cooperation with a pseudopotential approach and core polarization potential. The adiabatic potential energy curves for the ground state and numerous excited states of CsHe and RbHe systems are investigated. The corresponding spectroscopic constants such as equilibrium distance Re, well depth De, vibrational constant ωe, anharmonic constant, rotational constant Be, and transition energy Te as well as the vibrational levels of all electronic states are computed. Finally, permanent and transition dipole moment curves for the sigma states are determined and analyzed.

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Authors and Affiliations

  1. Quantum Physics Laboratory, Faculty of Science, University of Monastir, 5079, Monastir, Tunisia

    Mouna Ben Hadj Ayed, Rafika Hamdi, Houcine Ghalla & Brahim Oujia

  2. Physics Department, Faculty of Science, University of Jeddah, Jeddah, Kingdom of Saudi Arabia

    Brahim Oujia

  3. Laboratoire de Chimie et Physique Quantique, Université de Toulouse, Toulouse, France

    Florent Xavier Gadéa

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  1. Mouna Ben Hadj Ayed
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  2. Rafika Hamdi
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Correspondence to Houcine Ghalla.

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Ben Hadj Ayed, M., Hamdi, R., Ghalla, H. et al. Theoretical investigation of the electronic properties of alkali atoms interacting with helium rare gas using a pseudopotential approach. Theor Chem Acc 137, 83 (2018). https://doi.org/10.1007/s00214-018-2266-4

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