Abstract

A new method for determining vibrational wave functions for diatomic molecules is presented. The method is capable of giving very accurate results while at the same time it requires only a small number of parameters to describe the wave functions completely. For example, using a trial function containing only four parameters, it is possible to obtain the ground vibrational energy of H 2 to within 0.14 cm −1 of the exact value. In addition, the wave functions satisfy physical boundary conditions as r approaches 0 and ∞.

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