Potential energy and dipole moment surfaces of H3- molecule

Details Potential energy and dipole moment surfaces of H3- molecule Potential energy and dipole moment surfaces of H3- molecule

2010-02-08

arxiv.org/abs/1002.1626v1

Physics

Atomic Physics

Scientific paper

A new potential energy surface for the electronic ground state of the simplest triatomic anion H3- is determined for a large number of geometries. Its accuracy is improved at short and large distances compared to previous studies. The permanent dipole moment surface of the state is also computed for the first time. Nine vibrational levels of H3- and fourteen levels of D3- are obtained, bound by at most ~70 cm^{-1} and ~ 126 cm^{-1} respectively. These results should guide the spectroscopic search of the H3- ion in cold gases (below 100K) of molecular hydrogen in the presence of H3- ions.

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