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动态极化率和色散系数的变分微扰理论。

Variational perturbation theory for dynamic polarizabilities and dispersion coefficients.

作者信息

Xia Wen Hao, Zhou Zhi Ling, Jiao Li Guang, Liu Aihua, Montgomery Henry E, Ho Yew Kam, Fritzsche Stephan

机构信息

College of Physics, Jilin University, Changchun 130012, People's Republic of China.

Helmholtz-Institut Jena, D-07743 Jena, Germany.

出版信息

Phys Rev E. 2023 Sep;108(3-2):035305. doi: 10.1103/PhysRevE.108.035305.

Abstract

An efficient method based on the variational perturbation theory (VPT) is proposed to conveniently calculate the atomic real- and imaginary-frequency dynamic polarizabilities and the interatomic dispersion coefficients. The developed method holds the great advantage that only the system ground state wave function and corresponding radial mean values are needed. Verification of the VPT method on one- and two-electron atoms indicates that the present approximation shows good agreement with calculations based on the sophisticated sum-over-states method. We apply the VPT method to examine the approximate Z-scaling laws of polarizabilities and dispersion coefficients in the He isoelectronic sequence, and to investigate the plasma screening effect on these quantities for embedded atoms. Our calculation demonstrates very well that the VPT method is capable of producing reasonably accurate static and dynamic polarizabilities as well as two- and three-atom dispersion coefficients for plasma-embedded atoms in a wide range of screening parameters.

摘要

提出了一种基于变分微扰理论(VPT)的有效方法,用于方便地计算原子的实频和虚频动态极化率以及原子间色散系数。所开发的方法具有很大的优势,即只需要系统基态波函数和相应的径向平均值。对单电子和双电子原子的VPT方法验证表明,当前近似与基于复杂的态叠加方法的计算结果吻合良好。我们应用VPT方法研究了氦等电子序列中极化率和色散系数的近似Z标度律,并研究了嵌入原子的等离子体屏蔽效应。我们的计算很好地证明了VPT方法能够在广泛的屏蔽参数范围内,为等离子体嵌入原子产生合理准确的静态和动态极化率以及双原子和三原子色散系数。

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