The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.
|Number of pages||7|
|Journal||Journal of Physical Chemistry|
|Publication status||Published - 1991|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry