Molecular structure and analytical potential energy function for OUH system

Using density function theory (B3LYP) method, a variety of equilibrium structures for the OUH system have been optimized. Its most stable structure, the dissociation energy and harmonic force constants have been obtained. The Murrell-Sorbie potential energy functions and spectrum data of diatom molecules UH and UO in OUH have been derived. The analytical potential energy function for the ground state OUH ((X) over tilde 4A') was derived using the many-body expansion method. The potential energy surfaces reflect accurately equilibrium geometry of OUH. The results imply that the U + OH, O + UH and H + UO are exothermic reactions without threshold.