Abstract
Complete Cl calculations on the van der Waals molecule HeH with a large Gaussian basis set give the depth of the potential well as c = 0.50 meV and a minimum at R m = 3.64 Å. An analytical function has been fitted to the ab initio points and to the best estimates of the dispersion energy coefficients. One further parameter in the potential has been chosen to reproduce the HeH scattering cross section.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have