CHARGE AND INTRACULE DENSITIES IN SINGLY EXCITED HELIUM-LIKE IONS

被引:25
作者
CANN, NM [1 ]
BOYD, RJ [1 ]
THAKKAR, AJ [1 ]
机构
[1] UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
关键词
D O I
10.1063/1.464756
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The variation of the charge and intracule densities of singly excited states of two-electron ions with respect to spin multiplicity, nuclear charge, degree of excitation, and angular momentum quantum number is studied systematically. The n 1S, n 3S, n 1P, n 3P, n 1D, and n 3D states with n = 3-6 are considered for all the ions from He through Ne8+ using highly accurate explicitly correlated wave functions. Special attention is paid to spin multiplicity differences, that is differences between the densities of a pair of states arising from the same electron configuration of the same ion.
引用
收藏
页码:7132 / 7139
页数:8
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