Spectroscopy and physics of atoms and molecules

Polarization interaction of a Rydberg electron with an atomic core in the Thomas–Fermi–Patil model

A. S. Kornev

Voronezh State University, Voronezh, Russia

Abstract: Using the Thomas–Fermi–Patil method, a model potential of a Rydberg electron moving in the field of an atomic core with closed shells is obtained. Quantum defects of Rydberg states are calculated in the WKB approximation. The necessity of jointly taking into account the screened and polarization components of the model potential is demonstrated. The values of the “cutoff” radius in the formula for the polarization potential for a Rydberg electron are found. The limits of applicability of the Thomas–Fermi–Patil method for calculating quantum defects have been clarified: the cores of alkali atoms K, Rb, Cs from group 1 and similar singly charged alkaline earth ions Ca$^+$, Sr$^+$, Ba$^+$ from group 2 of the Periodic table. Here, significantly penetrating $s$, $p$ and $d$ states of a Rydberg electron have the quantum defect exceeding unity. The proposed approach can be used in testing the accuracy of various density functionals and model potentials.

Keywords: penetrating Rydberg states, quantum defects, polarization interaction, Thomas–Fermi–Patil model.

Received: 12.09.2023
Revised: 25.09.2023
Accepted: 28.09.2023

DOI: 10.61011/OS.2023.10.56883.5553-23

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