Articles with "new accurate" as a keyword



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A new accurate potential energy surface for HeTiO system and rotational quenching of TiO due to He collisions

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Published in 2018 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2018.06.030

Abstract: Abstract A new accurate ab initio potential energy surface (PES) of the HeTiO system is constructed. The multi-reference configuration interaction with the Davidson correction is used to obtain the energy points, and the neural network… read more here.

Keywords: potential energy; energy surface; hetio system; energy ... See more keywords