Relative Partial Wave Theory of Diatomic Molecules

Abstract

The method of expanding the Hamiltonian in (relative) partial waves and introducing similarly expanded but truncated series as approximate solutions is utilized in the case of (H2)+ as a prototype of diatomic molecules. Thirteen states have been examined at four internuclear separations and results compared to exact results. In particular, oscillator strengths have been computed, and various properties of the approximate solutions are exhibited which make this method potentially very useful especially for some astrophysical applications. A simple modification of the theory can be made which ensures that the oscillator strengths satisfy the sum rules.