ROVIBRATIONAL SPECTRA OF OPEN-SHELL VANDERWAALS COMPLEXES - H-2-OH (X 2-PI)

A variational basis function approach is described for the calculation of the rovibrational bound states and infrared spectrum of a van der Waals complex of a closed-shell diatom and a 2PI diatom using no angular momentum decoupling approximations. Using an ab initio potential surface, the method is then applied to calculate the bound states and spectra of the system H-2-OH (X 2PI), and results are given for the complex containing both para and ortho H-2. Interesting similarities and differences are discovered on comparing the results with those for the related Ar-OH and H-2-HF complexes.