Full-Dimensional Ab Initio Potential Energy Surface and Vibrational Energy Levels of Li2H
نویسندگان
چکیده
منابع مشابه
Ab Initio Potential Energy Surface and Vibrational-Rotational Energy Levels of X2Σ+ CaOH
The equilibrium structure and potential energy surface of calcium monohydroxide in its ground doublet state, X2Σ+ CaOH, have been determined from large-scale ab initio calculations using the spin-restricted coupledcluster method, RCCSD(T), with basis sets of quadrupleand quintuple-ú quality. The vibrational-rotational energy levels of the CaOH and CaOD isotopomers were calculated using the vari...
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ژورنال
عنوان ژورنال: Molecules
سال: 2018
ISSN: 1420-3049
DOI: 10.3390/molecules24010026