A new potential energy surface for the electronic ground state of the simplest triatomic anion H(3) (-) 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 H(3) (-) and 14 levels of D(3) (-) are obtained, bound by at most approximately 70 and approximately 126 cm(-1), respectively. These results should guide the spectroscopic search of the H(3) (-) ion in cold gases (below 100K) of molecular hydrogen in the presence of H(-) ions.

We constructed new global potential energy surface for O + O 2 → O 3 reaction. It is based on high level electronic structure theory calculations and employs fitting by permutationally invariant polynomial functions. This method of surface construction takes full advantage of permutation symmetry of three O nuclei and allows reducing dramatically the number of ab initio data points needed for accurate surface representation. New potential energy surface offers dramatic improvement over older surface of ozone in terms of dissociation energy and behavior along the minimum energy path. It can be used to refine the existing theories of ozone formation.