The potential energy surface of the ground state of the Ne-HBr complex has been calculated at several levels of the ory,in cluding the single and double excitation coupled-cluster method with noniterative perturbation treatment of triple excitation CCSD(T),Calculations have been performed using the augmented corredlation-consistent polarized quadruple zeta basis set (aug-cc-pVQAZ).Using the complete basis set (SBS),the global minimum with a well depth of approximate 70.516 cm-1 has been found for the linear Ne-Br-H structure (θ=180.0°） with the distance between the Ne atom and the center of mass of the HF molecule equals (0.351nm)，In addition to the global minimum ,there in a secondary minimum at Rm=0.410 nm and θ＝0° (a well depth of 57.898 cm-1),At last,the effects of the basis sets ,H-Br bond length and theoretical methods on the intermolecular potential calculations of such weakly bound van der Waals complexes were discussed.
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