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Reconciliation of the Theoretical and Experimental Value of the Static Electric Polarizability of the Aluminum Atom

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Abstract

The electric polarizability of the aluminum atom has become a benchmark for calibration in electric polarizability measurements of clusters during the past decades. However, there is a large discrepancy between the experimentally measured value and the theoretically predicted one. It is worth to clarify the argument through systematic modern calculations. Here, we present high-level computation of the static dipole polarizability of the ground-state aluminum atom by applying the PC-4 basis set with various ab initio methods including Unrestricted-Hartree–Fock, Møller-Plesset perturbation and the coupled cluster. In contrast to the previously calculated values which deviate from the experimentally measured one by 20%, our recommended value of 47.69 a.u. lies within the experimental one of 46 ± 2 a.u. This reconciliates the theoretical with the experimental value again and reaffirms its reliability as calibration for future experiments.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China under Grant No. 11774255, the National Basic Research Program of China No. 2020YFC2004602 and the Key Project of National Science Foundation of Tian** City No. 17JCZDJC30100.

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  1. Kai Wang and Shao-Zheng Fang have contributed equally to this work.

Authors and Affiliations

  1. Tian** International Center for Nanoparticles and Nanosystems, Tian** University, 92 Wei** Road, Nankai District, Tian**, 300072, China

    Kai Wang, Shao-Zheng Fang, Zheng Fan, Hong-Yuan Zhao, Lin Miao, Guang-Jia Yin, Ramiro Moro & Lei Ma

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  1. Kai Wang
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Wang, K., Fang, SZ., Fan, Z. et al. Reconciliation of the Theoretical and Experimental Value of the Static Electric Polarizability of the Aluminum Atom. J Clust Sci 34, 2147–2151 (2023). https://doi.org/10.1007/s10876-022-02377-5

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