Existence of He2- negative ions with two remote electrons in antibonding orbitals

被引:6
作者
Bacalis, NC [1 ]
机构
[1] Natl Hellen Res Fdn, Inst Theoret & Phys Chem, GR-11635 Athens, Greece
关键词
D O I
10.1088/0953-4075/33/7/309
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Calculations of low-lying quartet states of He-2(-) are reported, in which a positively charged core He-2(+) holds two remote electrons in antibonding orbitals, i.e, spending most time either side of and away from the central nodal plane, of similarly large RMS extent. A previously reported 4 Pi(u) state is reinterpreted and shown to be a Rydberg state. Further, a (4)Phi(u) state and a (4)Pi(g), the lowest state of this category, are reported. The calculation, performed in prolate spheroidal coordinates, is variational, utilizing one-electron diatomic-molecule-type orbitals, in full configuration interaction.
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页码:1415 / 1422
页数:8
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