类锂体系激发态的精确判据  

Precise criterion for excited states of the lithiumlike systems

作　　者：陈超[1,3] 王治文[2] 李家明[1,3,4] 

机构地区：[1]上海交通大学物理系 [2]辽宁师范大学物理系 [3]清华大学物理系,原子分子纳米科学研究中心 [4]中国科学院物理研究所,北京100080

出　　处：《物理学报》2005年第3期1142-1148,共7页Acta Physica Sinica

基　　金：国家自然科学基金 (批准号 :10 3 47114 ;10 1740 2 9;10 13 40 10 );国家博士后科学基金资助的课题 .~~

摘　　要：利用G偄ｌｖｅｚ Porras关于原子体系电子在核处密度和径向期待值的精确不等式 ,分别建立了波函数的两套精确判据 ,它们是独立于能量判据之外的检验波函数精确度的判据 .以类锂体系激发态为研究对象 ,首先对 1s2 3s态的电子在核处密度和径向期待值 <r>的上界进行了检查 ,然后对锂原子 1s2 3s态在不同计算方法下由电子在核处密度上界定义的R6 值和 <r>的上界定义的R4 值分别进行了测试 ,同时还对锂原子双激发态的电子在核处密度和径向期待值 <r>的上界进行了检验 .研究表明这两套不等式都可作为原子体系各种能态波函数的精确判据 .By using the accurate inequalities of the electron density at the nucleus and radial expectation values for atomic systems derived by Galvez and Porras, we separately construct two sets of precise criterion of the wave function, they are another precise criterion independent of energy to test quality of the wave function. In this paper, we use the excited states of lithiumlike systems as research objects and examine the upper bound of the electron density at the nucleus and radial expectation value < r > for the lithiumlike systems 1s(2)3s state, R-6 defined by the upper bounds of the electron density at the nucleus and R-4 defined by the upper bounds of radial expectation value < r > for the lithium atom 1s(2)3s state in different calculation methods are also tested, at the same time we check up the upper bound of the electron density at the nucleus and radial expectation value < r > for double excited states of the lithium atom. Research has shown that these two sets of inequalities can be used as precise criterion for wave function of energy states of atomic systems.

关 键 词：波函数 上界 双激发态 锂原子 电子 判据 不等式 体系 期待 研究对象 

分 类 号：O562[理学—原子与分子物理] O413[理学—物理]