%0 Journal Article
%T Three-dimensional Potential Energy Surface and Bound States of the Ar_{2}-Ne Complex
%A Mei Niu
%A Xiao tao Xu
%A Xia Chen
%A Xiao long Hu
%A Xiao long Hu
%J Chinese Journal Of Chemical Physics
%@ 1003-7713
%V 23
%N 5
%D 2010
%P 549-552
%K Ar_{2}-Ne complex, Potential energy surface, Rotational spectra
%X The first three-dimensional interaction potential energy surface (PES) of the Ar_{2}-Ne complex is developed using the single and double excitation coupled cluster theory with noniterative treatment of triple excitations CCSD(T). The aug-cc-pVQZ basis sets are employed for all atoms, including an additional (3s3p2d2f1g) set of midpoint bond functions. The calculated single point energies are fitted to an analytic two-dimensional potential model at each of seven fixed r_{Ar2} values. The seven model potentials are then used to construct the three-dimensional PES by interpolating along (r—r_{e}) using a sixth-order polynomial. The PES is used in the following rovibrational energy levels calculations. The comparisons of theoretical transition frequencies and spectroscopic constants with the experimental results are given.
%R 10.1088/1674-0068/23/05/549-552
%U http://cjcp.ustc.edu.cn/hxwlxb_en/ch/reader/article_export.aspx?file_no=100413085&flag=1&export_type=EndNote
%1 JIS Version 3.0.0