Knowledge Bank

Using the analytical expression developed by Bunker, $et.al.1$ for the ab initio potential enery surface of HF $dimer,2$ close-coupling calculations are performed giving the energies of excited vibration and vibration-tunneling states. These results are compared with experiment when possible and with the results of approximate methods of calculation. The large number of channels required for convergence indicates that in some ways the HF dimer resembles a ``normal'' strongly-bound molecule more closely than a weakly-bound complex such as$(H2)2.$ $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}$ P.R. Bunker, M. Kofranek, H. Lischka, and A. Karpfen, J. Chem. Phys. 89, 3002 (1988). $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}$M. Kofranek, H. Lischka, and A. Karpfen, Chem. Phys. 121, 137 (1988).