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arXiv 1608.01098physics.atom-ph
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Li（$2\,^2S$）-Li（$2\,^2S$）-Li（$2\,^2P$）体系长程三体相互作用的计算

Calculations of long-range three-body interactions for Li($2\,^2S$)-Li($2\,^2S$)-Li($2\,^2P$)

Pei-Gen Yan, Li-Yan Tang, Zong-Chao Yan, James F. Babb

备注：
32 pages, 4 figures
发表信息：
Phys. Rev. A 94, 022705 (2016)
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摘要：

本文用微扰理论得到了三个全同原子间几种主要长程相互作用的一般计算公式，其中两个原子处于全同$S$态，另一个原子处于$P$态，其能量可达二阶。一级（偶极）相互作用取决于三个原子的几何构型。在二阶，添加剂和非添加剂色散相互作用。非加性相互作用依赖于几何构型，这与所有三个原子都处于相同的$S$态的情况形成鲜明对比，在这种情况下，非加性（也称为三重偶极或Axilrod-Muto-Teller）色散相互作用出现在三阶。用变分产生的锂原子波函数在Hylleraas坐标系中计算了Li（$2\,^2S$）-Li（$2\,^2S$）-Li（$2\,^{2}P$）体系的系数，证明了该方法的正确性.本文的偶极系数和加性与非加性色散系数可用于构造这一三个锂原子系统的精确势能面。

英文摘要：

General formulas for calculating the several leading long-range interactions among three identical atoms where two atoms are in identical $S$ states and the other atom is in a $P$ state are obtained using perturbation theory for the energies up to second order. The first order (dipolar) interactions depend on the geometrical configurations of the three atoms. In second order, additive and nonadditive dispersion interactions are obtained. The nonadditive interactions depend on the geometrical configurations in marked contrast to the case where all three atoms are in identical $S$ states, for which the nonadditive (also known as triple-dipole or as Axilrod-Muto-Teller) dispersion interactions appear at the third order. The formalism is demonstrated by the calculation of the coefficients for the Li($2\,^2S$)-Li($2\,^2S$)-Li($2\,^{2}P$) system using variationally-generated atomic lithium wave functions in Hylleraas coordinates. The present dipolar coefficients and additive and nonadditive dispersion coefficients may be useful in constructing precise potential energy surfaces for this three lithium atom system.

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