Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
A four-dimensional intermolecular potential-energy surface has been calculated for the HCN-HCl complex, with the use of the coupled cluster method with single and double excitations and noniterative inclusion of triples. Data for more than 13 000 geometries were represented by an angular expansion in terms of coupled spherical harmonics; the dependence of the expansion coefficients on the intermol
