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arXiv 0705.1604physics.atom-phphysics.comp-ph
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He($2 ^1P$)-He($2 ^1P$)、He($2 ^1P$)-He($2 ^3P$)和He($2 ^3P$)-He($2 ^3P$)两种激发态类同位素He原子的精确长程系数

Accurate long-range coefficients for two excited like isotope He atoms: He($2 ^1P$)--He($2 ^1P$), He($2 ^1P$)--He($2 ^3P$), and He($2 ^3P$)--He($2 ^3P$)

J. -Y. Zhang, Z. -C. Yan, D. Vrinceanu, J. F. Babb, H. R. Sadeghpour

摘要:

一个通用的形式是用来表示两个类似的原子或分子系统之间的分离距离的反幂的$P$对称性的长程势能。计算分子对称性$Δ$、$Π$和$Σ$的长程分子相互作用系数,这些分子对称性由以下相互作用产生:He($2 ^1P$)-He($2 ^1P$)、He($2 ^1P$)-He($2 ^3P$)和He($2 ^3P$)-He($2 ^3P$)。电四极-四极项$C_{5}$、范德华(色散)项$C_{6}$和高阶项$C_{8}$和$C_{10}$在Hylleraas坐标系中使用精确的变分波函数和有限核质量效应计算\textit{ab initio}。与以前发表的结果进行比较。

英文摘要:

A general formalism is used to express the long-range potential energies in inverse powers of the separation distance between two like atomic or molecular systems with $P$ symmetries. The long-range molecular interaction coefficients are calculated for the molecular symmetries $Δ$, $Π$, and $Σ$, arising from the following interactions: He($2 ^1P$)--He($2 ^1P$), He($2 ^1P$)--He($2 ^3P$), and He($2 ^3P$)--He($2 ^3P$). The electric quadrupole-quadrupole term, $C_{5}$, the van der Waals (dispersion) term $C_{6}$, and higher-order terms, $C_{8}$, and $C_{10}$, are calculated \textit{ab initio} using accurate variational wave functions in Hylleraas coordinates with finite nuclear mass effects. A comparison is made with previously published results where available.

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