SPIN-DENSITY AND DENSITY MOMENTS FOR THE LITHIUM GROUND-STATE

被引:28
作者
ESQUIVEL, RO [1 ]
BUNGE, AV [1 ]
NUNEZ, MA [1 ]
机构
[1] UNIV AUTONOMA METROPOLITANA AZCAPOTZALCO, DEPT MATEMAT, MEXICO CITY 09340, DF, MEXICO
来源
PHYSICAL REVIEW A | 1991年 / 43卷 / 07期
关键词
D O I
10.1103/PhysRevA.43.3373
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Accurate analytical charge and spin-electron densities for the lithium atom are obtained by using a systematic and reliable method recently developed and applied to closed-shell atoms. The convergence of the densities is analyzed in terms of well-defined improvements in the corresponding configuration-interaction wave functions, and mathematical criteria are used to test the stability of the densities and their derivatives. Fully converged results for one-electron properties and, in particular, for the Fermi-contact interaction are reported.
引用
收藏
页码:3373 / 3383
页数:11
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