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