Interatomic Coulombic electron capture beyond the virtual photon approximation

Šenk, Jan; Graves, Vincent; Gorfinkiel, Jimena D; Kolorenč, Přemysl and Sisourat, Nicolas (2024). Interatomic Coulombic electron capture beyond the virtual photon approximation. The Journal of Chemical Physics, 161(17), article no. 174113.

DOI: https://doi.org/10.1063/5.0227540

Abstract

Via the interatomic Coulombic electron capture (ICEC) process, an electron can be captured by an atom or a molecule, while the binding and excess energy is transferred, via a long-range Coulomb interaction, to a neighboring atom or molecule. The transferred energy can be used to ionize or electronically excite the neighboring species. When the two species are asymptotically far apart, an analytical formula for the ICEC cross sections can be derived. The latter can then be estimated using only the energies and the photoionization cross sections of each species. In this work, we develop an analytical model that allows us to predict the ICEC cross sections when the size of the involved species is comparable to the distance between the two entities. Using ab initio R-matrix results for various systems, we show that the new model reduces the error of the asymptotic formula by two orders of magnitude on average while only using parameters that can be taken from the properties of each species.

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Jan Šenk, Vincent Graves, Jimena D. Gorfinkiel, Přemysl Kolorenč, Nicolas Sisourat; Interatomic Coulombic electron capture beyond the virtual photon approximation. J. Chem. Phys. 7 November 2024; 161 (17): 174113. and may be found at.https://doi.org/10.1063/5.0227540

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