Structures of the medium-size hydrogen fluoride clusters

The structures of hydrogen fluoride clusters (HF)(n) (n less than or equal to 14) were considered based on an analysis of stationary points in the corresponding potential energy surfaces. The potentials were constructed by using the diatomics-in-molecules method, predictions of which were verified by ab initio quantum-chemical calculations. Minimum-energy points in such hat multidimensional potential surfaces were located with the use of the basin-hopping algorithm, which is based on the Monte Carlo simulations on surfaces transformed in a special way.