极化(电化学)
业务
材料科学
物理
化学
物理化学
作者
Donal Flynn,I. P. Grant,Harry M. Quiney
出处
期刊:Cornell University - arXiv
日期:2024-05-18
标识
DOI:10.48550/arxiv.2405.11262
摘要
Radiative corrections to electronic structure are characterized by perturbative expansions in $\alpha$ and $Z\alpha$, where $\alpha$ is the fine-structure constant and $Z$ is the nuclear charge. A formulation of the leading-order $\alpha(Z\alpha)$ Uehling contribution to the renormalized vacuum polarization is reported in a form that is convenient for implementation in computational studies of the relativistic electronic structures of molecules. Benchmark calculations based on these methods are reported that include the leading-order vacuum polarization effects within relativistic mean-field methods for the E119$^+$ ion and the closed-shell diatomic species E119F.
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