| ~3He(~4He)-H_2碰撞体系的相互作用势及微分散射截面的理论研究 |
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| 引用本文： | 沈光先,令狐荣锋.~3He(~4He)-H_2碰撞体系的相互作用势及微分散射截面的理论研究[J].贵州师范大学学报(自然科学版),2009,27(2). |
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| 作者姓名： | 沈光先 令狐荣锋 |
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| 作者单位： | 贵州师范大学,物理与电子科学学院,贵州,贵阳,550001;四川大学,原子与分子物理研究所,四川,成都,610065 |
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| 基金项目： | 国家自然科学基金，高等学校博士学科点专项科研基金，贵州省教育厅自然科学重点项目，贵州省优秀科技人才省长专项资金项目 |
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| 摘 要： | 运用量子化学从头计算方法,在CCSD(T)/aug-cc-pvtz和CCSD(T)/cc-pvtz理论水平下,计算了3He(4He)-H2相互作用能数据,采用Murrell-Sorbie势函数(M-S势)拟合了3He(4He)原子与H2分子各向异性相互作用势,并用公认精确度较高的密耦方法计算了3He(4He)-H2碰撞体系的微分散射截面,总结了微分散射截面的变化规律。研究表明:拟合势不但表达形式简洁,而且较好地描述了3He(4He)-H2体系相互作用的各向异性特征。
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| 关 键 词： | 相互作用势 Murrell-Sorbie势 T-T势 密耦近似 微分散射截面 |
Theoretical study of the interaction potential and the differential scattering cross sections for ~3He(~4He)-H_2 system |
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| SHEN Guang-xian,LINGHU Rong-feng.Theoretical study of the interaction potential and the differential scattering cross sections for ~3He(~4He)-H_2 system[J].Journal of Guizhou Normal University(Natural Sciences),2009,27(2). |
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| Authors: | SHEN Guang-xian LINGHU Rong-feng |
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| Institution: | 1.School of Physics and Electronics Sciences;Guizhou Normal University;Guiyang;Guizhou 550001;China;2.Institute of Atomic and Molecular Physics;Sichuan University;Chengdu;Sichuan 610065;China |
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| Abstract: | The interaction potential surfaces of 3He(4He)-H2 have been calculated by quantum chemistry ab initio at CCSD(T)/aug-cc-pvtz and CCSD(T)/cc-pvtz level.The anisotropic interaction potentials are fitted using the Murrell-Sorbie potential function.The differential scattering cross sections for collisions between 3He(4He)atom and H2 molecule are calculated by using close-coupling method.Furthermore,the changing regularity of the differential scattering cross sections is summed up.The fitted potential not only p... |
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| Keywords: | interaction potential Murrell-Sorbie potential T-T potential close-coupling approximation differential scattering cross sections |
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