原子与分子物理学报2007，Vol.24Issue(3)：634-640,7.
Ne-HCl相互作用势及微分散射截面的研究
The interaction potential and differential cross sections for scattering of HCl with Ne
摘要
Abstract
An interaction potential of the Ne-HCl van der Waals complex is obtained by utilizing the Huxley analytic potential function to fit the accurate interaction energy data,which have been computed at the coupled cluster singles and doubles including connected triple excitations level and with the augmented correlation consistent polarized valence quintuple zeta basis set extended with a set of 3s3p2d1f1g mid-bond functions [CCSD(T)/aug-cc-pV5Z-33211].The close coupling calculation of differential scattering cross sections for collision of Ne with HCl is first performed by employing the fitted interacting potential.The calculation is performed separately at the incident energies:40,60,75 and 100 meV.The tendency of the total,elastic and rotational excitation differential cross sections varying with scattering angle θ is obtained.We hope that the computed results can provide reference information for the scattering experiments and theoretical study of Ne with HCl.关键词
Huxley势/微分截面/密耦方法/Ne-HCl复合物Key words
Huxley potential/differential cross sections/close-coupling method/Ne-HCl complex分类
数理科学引用本文复制引用
余春日,史守华..Ne-HCl相互作用势及微分散射截面的研究[J].原子与分子物理学报,2007,24(3):634-640,7.基金项目
国家自然科学基金(10676025) （10676025）
安庆师范学院学科建设基金(044-k06016000007) （044-k06016000007）
