物理学报2011，Vol.60Issue(1)：173-181,9.
He-H2(D2,T2)碰撞体系振转相互作用势及分波截面的理论计算
Theoretical calculation of the vib-rotational interaction potential and the partial wave cross sections for He-H2(D2,T2)system
摘要
Abstract
The interaction potential surfaces of He-H2 (D2, T2 )have been calculated by employing supermolecule method and the single and double excitation coupled-cluster with a noniterative perturbation treatment of triple excitation CCSD (T)approach using a large basis set containing the atomic centre Gaussian function and the 3s3p2d1f key function when the key-lengths of H2 was different.The vib-rotational interaction potentials of He-H2 ( D2, T2 ) system were fitted using the Tang-Toennies potential function and nonlinear least square method in a center of mass coordinate system.The partial wave cross sections at the energies of 60,90 and 120 meV have been calculated by using the quantum close-coupling method.On the basis of the above results, the change rules of the partial wave cross sections with change of quantum number have been obtained.Furthermore, corresponding connection and scattering characteristics of partial wave cross sections and scattering parameter were discussed in combination with classical collision theory.关键词
高斯键函数/Tang-Toennies势函数/分波截面/碰撞参数Key words
Gaussian Key function/ Tang-toennies potential function/partial wave cross section/scatterimg parameter引用本文复制引用
沈光先,汪荣凯,令狐荣锋,杨向东..He-H2(D2,T2)碰撞体系振转相互作用势及分波截面的理论计算[J].物理学报,2011,60(1):173-181,9.基金项目
国家自然科学基金(批准号:10964002 （）
10974139),贵州省科学技术基金(批准号:黔科合J字[2009]2067号)、贵州省教育厅自然科学基金(批准号:黔教科 20090041)和贵州师范大学博士科研基金资助的课题. （批准号:黔科合J字[2009]2067号）
