Articles with "initio potential" as a keyword



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A full-dimensional ab initio potential energy surface and rovibrational energies of the Ar–HF complex

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Published in 2018 at "Molecular Physics"

DOI: 10.1080/00268976.2018.1430387

Abstract: ABSTRACT We report a new full-dimensional ab initio potential energy surface for the Ar–HF van der Waals complex at the level of coupled-cluster singles and doubles with noniterative inclusion of connected triples levels [CCSD(T)] using… read more here.

Keywords: potential energy; energy surface; dimensional initio; initio ... See more keywords