Spectroscopy of K[sup +]⋅Rg and transport coefficients of K[sup +] in Rg (Rg=He–Rn)
نویسندگان
چکیده
منابع مشابه
Spectroscopy of K+ x Rg and transport coefficients of K+ in Rg (Rg=He-Rn).
Ab initio calculations employing the coupled-cluster method, with single and double substitutions and accounting for triple excitations noniteratively [CCSD(T)], are used to obtain accurate potential energy curves for the K(+)He, K(+)Ne, K(+)Ar, K(+)Kr, K(+)Xe, and K(+)Rn cationic complexes. From these potentials, rovibrational energy levels and spectroscopic parameters are calculated. In addit...
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High-level ab initio calculations are used to obtain accurate potential energy curves for Na•Kr, Na•Xe, and Na•Rn. These data are used to calculate spectroscopic parameters for these three species, and the data for the whole Na•Rg series (Rg5He–Rn) are compared. Potentials for the whole series are then used to calculate both mobilities and diffusion coefficients for Na moving through a bath of ...
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Ab initio calculations employing the coupled-cluster method, with single and double substitutions and accounting for triple excitations noniteratively @CCSD~T!#, are used to obtain accurate potential energy curves for the K•He, K•Ne, K•Ar, K•Kr, K•Xe, and K•Rn cationic complexes. From these potentials, rovibrational energy levels and spectroscopic parameters are calculated. In addition, mobilit...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2004
ISSN: 0021-9606
DOI: 10.1063/1.1735560