Variational calculations on ammonia using two symmetrical normal modes

Abstract

Variational calculations have been camed out on the ammonia molecule using two-dimensional potential energy functions. The two dimensions used are the inversion and symmetrical stretching coordinates. Ifthe potential function includes a term to describe the interaction between these two coordinates, the results are as good as those obtained in other studies using a six-dimensional potential function. The barrier height for the new potential function is 1857.5 cm-'.