100～5000eV下电子被等电子(Z=10)分子CH_4、H_2O、HF及NH_3散射的总截面计算  

Total cross sections for scattering of electrons from the isoelectronic ( Z =10) molecules (CH_4, H_2O, HF and NH_3) at 100～5 000 eV

作　　者：施德恒[1] 孙金锋[2] 杨向东[1] 刘玉芳[2] 朱遵略[2] 

机构地区：[1]四川大学原子与分子物理研究所,成都610065 [2]河南师范大学物理系,新乡453002

出　　处：《原子与分子物理学报》2004年第1期7-11,共5页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金资助项目 (10 1740 19和 10 2 740 5 5 ) ;高等学校博士学科点专项科研基金资助项目 (2 0 0 2 0 610 0 0 1)

摘　　要：利用可加性规则 ,使用Roothaan Hartree Fock波函数 ,在 10 0～ 5 0 0 0eV下首次采用由束缚原子概念修正过的复光学势 ,对电子被等电子 (Z =10 )分子CH4、H2 O、HF和NH3 散射的总截面进行了计算。束缚原子不同于自由原子之处 ,是束缚原子考虑了在不同分子中电子云的不同重叠 ,将计算结果与实验及其它计算结果进行了比较。结果表明 ,利用被束缚原子概念修正过的复光学势及可加性规则进行计算 ,其结果的精度要比利用未被束缚原子概念修正过的复光学势及可加性规则进行计算得到的结果好。A model complex optical potential correlated by the conception of bonded atom, which considers the overlap of electron cloud, is firstly employed to calculate the total cross sections for electron scattering from the isoelectronic ( Z =10) molecules (CH_4、H_2O、HF and NH_3) in the incident energy range of 100～5 000 eV by using additivity rule at Hartree-Fock level. The difference between bonded atom and the free one in state is that the overlap of electron cloud of bonded atoms in a molecule is considered. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses bonded-atom conception. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical potential model correlated by the conception of bonded atom can give better results than the one uncorrelated by it. Therefore, the introduction of bonded-atom conception in complex optical potential betters the accuracy of the total cross section calculations of electrons from molecules.

关 键 词：原子分子碰撞 可加性规则 束缚原子 总截面 

分 类 号：O571.554[理学—粒子物理与原子核物理]