物理学报2013，Vol.62Issue(1)：126-131,6.DOI:10.7498/aps.62.013103
He原子与N2分子相互作用势的理论研究
Theoretical study on He-N2 interaction potential
摘要
Abstract
In this paper, the ab initio quantum mechanics method is used for further investigating the He-N2 interactional potential energy function. By means of different methods and basis sets, the energy data in space are calculated. Finally the accurate He-N2 interactional potential energy function is obtained by using QCISD(T)/6-311++G(3df, 2pd) with Boy and Bemardi's Full Couterpoise to eliminate the basis set superposition error. The calculated differential cross sections of He-N2 collision are in good agreement with the experimental data. The rules of differential cross sections of He-N2 collision at different collision energies are derived.关键词
He-N2/相互作用势/碰撞/微分截面Key words
He-N2/ interactional potential energy function/ collision/ differential cross section引用本文复制引用
令狐荣锋,徐梅,吕兵,宋晓书,杨向东..He原子与N2分子相互作用势的理论研究[J].物理学报,2013,62(1):126-131,6.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]2066号和[2009]07号)、贵州省高层次人才科研条件特助项目(批准号:TZJF-2008年-42号)和贵州师范大学资助博士科研项目资助的课题. （批准号:10964002,10974139）
