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| He-N_2碰撞体系相互作用势及微分散射截面的研究 | |
| 引用本文： | 汪荣凯,余春日,令狐荣锋,杨向东.He-N_2碰撞体系相互作用势及微分散射截面的研究[J].四川大学学报(自然科学版),2006,43(2):371-375. |
| 作者姓名： | 汪荣凯 余春日 令狐荣锋 杨向东 |
| 作者单位： | 1. 贵州师范大学理学院,贵阳,550001;四川大学原子与分子物理研究所,成都,610065 2. 安庆师范学院物理与电气工程学院,安徽,安庆,246011;四川大学原子与分子物理研究所,成都,610065 3. 贵州师范大学理学院,贵阳,550001 4. 四川大学原子与分子物理研究所,成都,610065 |
| 基金项目： | 国家自然科学基金(10574096);; 高等学校博士点专项科研基金(20050610010) |
| 摘 要： | 作者运用量子化学从头计算方法,在MP2/6-311++G(3df,2p)水平下,计算了He-N2相互作用的势能表面,构造了He原子与N2分子相互作用的各向异性势函数,用密耦方法计算了He原子与N2分子碰撞的微分散射截面,计算结果与实验数据符合较好. |
| 关 键 词： | 散射截面 密耦方法 势能函数 |
| 文章编号： | 0490-6756（2006）02-0371-05 |
| 收稿时间： | 2005-11-13 |
| 修稿时间： | 2005-11-132005-12-29 |
Study of Interaction Potential and Differential Scattering Cross Section for He-N_2 |
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| WANG Rong-kai,YU Chun-ri,LINGFU Rong-feng,YANG Xiang-dong.Study of Interaction Potential and Differential Scattering Cross Section for He-N_2[J].Journal of Sichuan University (Natural Science Edition),2006,43(2):371-375. | |
| Authors: | WANG Rong-kai YU Chun-ri LINGFU Rong-feng YANG Xiang-dong |
| Institution: | School of Physics and Chemistry; Guizhou Normal University,Institute of Atomic and Molecular Physics; Sichuan University,chool of Physics & Electric Engineering; Anqing Teachers College,School of Physics and Chemistry; Guizhou Normal University,Institute of Atomic and Molecular Physics; Sichuan University |
| Abstract: | The interaction potential surface of He-N_2 has been calculated by quantum chemistry ab initio at MP2/6-311++G(3df,2p) level.Anisotropic potential function of He-N_2 interaction has been built.Then differential scattering cross sections for He atom collision with N_2 molecule are calculated using the exact close-coupling approximation method.The results of the calculation are corresponding to the data of the scattering experiment by M.Keil et al.In principle,the difficult problem to determine the potential ... |
| Keywords: | scattering cross section close-coupling method potential energy function |
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