A global three-dimensional potential energy surface for the HeCuF system, which has a relatively large helium binding energy of ca. 6.2 kcal/mol, has been developed using the high-level ab initio CCSD(T) electronic structure method with scalar relativistic effects taken into account. Using the developed potential energy surface, vibrational states of (HeCuF)-He-4 and (HeCuF)-He-3 have been calculated quantum mechanically. Spectroscopic detection of these helium-containing complexes has been discussed. (C) 2012 Elsevier B.V. All rights reserved.