Hylleraas hydride binding energy: diatomic electron affinities
نویسندگان
چکیده
منابع مشابه
Hylleraas hydride binding energy: diatomic electron affinities.
Theoretical adiabatic electron affinities are often considered inaccurate because they are referenced to only a single value. Ground state electron affinities for all the main group elements and homonuclear diatomics were identified recently using the normalized binding energy of the hydrogen atom: [0.75420375(3)/2 = 0.37710187(1) eV]. Here we revisit experimental values and extend the identifi...
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R-matrix calculations combined with the adiabatic nuclei approximation are used to compute electron-impact rotational excitation rates for three closed-shell diatomic cations, HeH+, CH+, ArH+. Comparisonswith previous studies show that an improved treatment of threshold effects leads to significant changes in the low temperature rates; furthermore the new calculations suggest that excitation of...
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ژورنال
عنوان ژورنال: Journal of Molecular Modeling
سال: 2015
ISSN: 1610-2940,0948-5023
DOI: 10.1007/s00894-015-2598-0