三原子体系中的长程分子间力：连接原子-双原子和原子-原子-原子表示
Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations
摘要：
在原子-双原子和原子-原子-原子两种表示中分析了作用于三个原子之间的长程力。原子硅藻色散系数的表达式得到的三体非加性系数。原子-硅藻C_6色散系数的各向异性主要由非加性三偶极和四偶极力引起，而成对加性力和非加性三偶极和偶极-偶极-四极力对原子-硅藻C_8色散系数有重要贡献。将所得表达式应用于Li + Li_2（三重态）的色散系数，并提出了获得能正确离解成三个分离原子和一个原子及一个双原子分子的整体三原子势的最佳方法。
英文摘要：
The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-diatom C_8 coefficients. The resulting expressions are applied to dispersion coefficients for Li + Li_2 (triplet) and recommendations are made for the best way to obtain global triatomic potentials that dissociate correctly both to three separated atoms and to an atom and a diatomic molecule.
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