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Volume 353 - International Conference on Precision Physics and Fundamental Physical Constants (FFK2019) - Poster session
Algorithm for calculating Bethe logarithm and the adiabatic correction for atoms and two-centered molecules
E. Palikot,* M. Stanke
*corresponding author
Full text: pdf
Pre-published on: 2019 December 19
Published on: 2020 February 18
Abstract
Bethe logarithm ln(k0) is one of the leading quantum-electrodynamics energy corrections of the order of α^3. A method for calculating this correction, which is an alternative to the method of Schwartz et al. [1], is presented. An effective algorithm for selecting a basis set to be used in the ln k 0 calculation is also shown. This work is based on the previous paper by Stanke et al. [2]. The approach proposed by Stanke et al. in that paper is extended for calculating multi-electron atoms and two-center molecules. The proposed algorithm employs a spectral representation of a function of an operator and its spectral decomposition. The calculations are done within the Born-Oppenheimer approximation using explicitly correlated Gaussian functions with shifted centers.
In both cases, the atomic and the molecular, one of the main problems is the choice of appropriate basis sets.
DOI: https://doi.org/10.22323/1.353.0056
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