Interactions of Si+(2PJ) and Ge+ (2PJ) with rare gas atoms (He–Rn): interaction potentials, spectroscopy, and ion transport coefficients

Physical Chemistry Chemical Physics(2022)

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摘要
RCCSD(T) potentials for Si+ and Ge+ interacting with RG atoms (RG = He–Rn) are presented, including extrapolating to the basis set limit and spin–orbit coupling. These potentials are used to derive spectroscopic and ion transport parameters.
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关键词
rare gas atoms,interactions potentials,interactions transport coefficients,spectroscopy
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