Stability and structure of LiBeH3 and LiBH4 from data on nonempirical calulations with account of electron correlation

Nonempirical calculations of relative energies of alternative mono-, bi- and tridentate configurations of LiBeH3 and LiBH4 molecules, and of the energies of various channels of their monomolecular decomposition into simpler products, are made. The calulations are made in the basis 6-31G** in self-consistent field approximation, taking into account electron correlation in the framework of self-consistent electron couple method. The effect of electron correlation on the accuracy of nonempirical calculations of simple and complex hydrides of light elements is discussed