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The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms

机译:稀有气体,碱金属和碱土原子的远程非加性三体分散相互作用

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摘要

The long-range non-additive three-body dispersion interaction coefficients Z 111, Z 112, Z 113, and Z 122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z 111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z 112, Z 113, and Z 122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.
机译:使用标准表达式为许多原子组合计算远程非加性三体分散交互作用系数Z 111,Z 112,Z 113和Z 122。所考虑的原子包括氢,稀有气体,碱金属原子(不超过Rb)和碱土原子(不超过Sr)。由三个相互偶极相互作用引起的Z 111称为Axilrod-Teller-Muto系数或DDD(偶极-偶极-偶极)系数。同样,术语Z 112,Z 113和Z 122源自原子之间的偶极(1),四极(2)和八极(3)相互作用的相互组合,有时分别称为偶极-偶极-四极,偶极-偶极-八极和偶极-四极-四极系数。给出了同核三聚体,涉及两个稀有气体原子的三聚体以及具有H,He和Li原子所有组合的三聚体的四个Z系数的结果。所有可能的原子组合之间的所有系数的详尽汇编作为补充数据提供。

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