Accurate deuterium spectroscopy and comparison with ab initio calculations
نویسندگان
چکیده
منابع مشابه
An accurate ab initio HOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment
Accurate ab initio multireference configuration interaction ~CI! calculations with large correlation-consistent basis sets are performed for HOCl. After extrapolation to the complete basis set limit, the ab initio data are precisely fit to give a semiglobal three-dimensional potential energy surface to describe HOCl→Cl1OH from high overtone excitation of the OH-stretch. The average absolute dev...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2020
ISSN: 2469-9926,2469-9934
DOI: 10.1103/physreva.101.052504