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Auger Spectroscopy of Multielectron Atoms: Generalized Energy Formalism

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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 33))

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Abstract

An advanced version of relativistic energy formalism in the Auger spectroscopy of multielectron atomic systems is developed in order to calculate the fundamental energetic and spectroscopic parameters of the Auger decay process. The approach originally uses the Gell-Mann and Low adiabatic formulae in order to calculate an autoionization and Auger decays probabilities as well as the radiative oscillator strengths. The electron structure of a multielectron atom is calculated on the basis of the relativistic many-body perturbation theory (RMBPT) with ab initio model zeroth approximation and a correct accounting for the exchange-polarization corrections as the second and higher orders perturbation theory contributions. In order to provide gauge invariance performance, the RMBPT optimized zeroth approximation is generated on the basis of the relativistic criterion of minimization of the RMBPT second and higher orders exchange-polarization diagrams contributions into imaginary part of the atomic level energy shift. As an illustration, the results of computing the energy and spectral parameters of the resonant Auger decay for neon atomic system as well as some solids are listed. The results are compared with available experimental results as well as with the results, obtained within calculation on the basis of different semiempirical and ab initio methods. In whole there is a physically reasonable agreement between new theory results and experimental data.

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Acknowledgements

The author would like to thank Professors Olga Khetselius, Erkki Brändas, Jacek Karwowski, Ilya Kaplan, Jean Maruani, Boris Plakhutin and Andrey Svinarenko for useful discussions and comments and Dr Angeliki Athanasopoulou for the support. The author would like to thank the anonymous referees for useful comments too. The technical editorial assistance of Mr. Boopalan Renu and Mr. Muruga Prashanth are also very much acknowledged.

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  1. Odessa State Environmental University, L’vovskaya str., bld. 15, Odessa, 65016, Ukraine

    Alexander V. Glushkov

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  1. Department of Mathematics, Odessa State Environmental University, Odessa, Ukraine

    Alexander V. Glushkov

  2. Department of Mathematics, Odessa State Environmental University, Odessa, Ukraine

    Olga Yu. Khetselius

  3. LCP-MR, CNRS and Sorbonne-Universités, Paris, France

    Jean Maruani

  4. Department of Chemistry, Uppsala University, Uppsala, Sweden

    Erkki Brändas

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Glushkov, A.V. (2021). Auger Spectroscopy of Multielectron Atoms: Generalized Energy Formalism. In: Glushkov, A.V., Khetselius, O.Y., Maruani, J., Brändas, E. (eds) Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology. Progress in Theoretical Chemistry and Physics, vol 33. Springer, Cham. https://doi.org/10.1007/978-3-030-68314-6_1

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