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CⅠ等电子序列离子组态能量Z相关修正的改进
引用本文:杨依枫,杨晖,郑刚,牟致栋.CⅠ等电子序列离子组态能量Z相关修正的改进[J].原子与分子物理学报,2011,28(6):421-426.
作者姓名:杨依枫  杨晖  郑刚  牟致栋
作者单位:上海理工大学,上海理工大学,上海理工大学,中国矿业大学
基金项目:国家自然科学基金(61007002);上海市研究生创新基金项目(JWCXSL1022);上海市晨光计划(10CG50);上海市优秀青年教师科研专项基金(slg09007)
摘    要:以相对论多体微扰理论为基础,利用屏蔽理论的思想和方法,引入并改进了与核电荷数Z相关的能量修正函数,计算了CⅠ等电子序列离子(6<=Z<=55)基组态(1s2 2s2 2p2)和第一激发组态(1s2 2s2 2p1)能量.计算过程基于自编的C语言和Mathematica程序,所得结果与实验值符合的很好,大大减小了由于忽略能量高阶项产生的误差,证明此项改进适用于等电子序列离子组态能量的计算.

关 键 词:相对论多体微扰理论(RMBPT)  屏蔽理论  CⅠ等电子序列离子  基组态能量  第一激发组态能量
收稿时间:9/4/2010 9:09:39 PM
修稿时间:12/2/2010 2:40:38 PM

The improvement of Z-dependent corrections for configuration energies of C-like sequence ions
Yang Yi-feng,Yang Hui,Zheng gang and Mu Zhi-dong.The improvement of Z-dependent corrections for configuration energies of C-like sequence ions[J].Journal of Atomic and Molecular Physics,2011,28(6):421-426.
Authors:Yang Yi-feng  Yang Hui  Zheng gang and Mu Zhi-dong
Institution:University of Shanghai for Science and Technology,University of Shanghai for Science and Technology,University of Shanghai for Science and Technology,China University of Mining and Technology
Abstract:Based on the relativistic many-body perturbation theory(RMBPT) and screening theory for many electron atomic system, the energies of C-like sequence ions(6<=Z<=55) for ground configuration(1s2 2s2 2p2) and the first excited configuration(1s2 2s2 2p1) are calculated. An improved Z-dependent modify function is introduced to increase the accuracy of the result, which makes it excellent agree with the available experimental data. C and Mathematica programs are designed for this calculation. The conclusion is obtained that this modification is suitable for the calculation of the configuration energies of isoelectronic sequence ions.
Keywords:Relativistic many-body perturbation theory(RMBPT)  Screening theory  C-like sequence ions  Ground configuration energies  The first excited configuration energies
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