Pseudopotential calculations of alkali interactions

被引:39
作者
Bardsley, J. N. [1 ]
机构
[1] Univ Pittsburgh, Dept Phys, Pittsburgh, PA 15213 USA
关键词
D O I
10.1016/0009-2614(70)80162-2
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
Several forms of pseudopotential arc presented for the valence electron in lithium and sodium. These potentials are used to calculate potential energy curves for Li-2(+) and Li-2. Comparison with ab initio calculations confirms the usefulness of the pseudopotential technique.
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页码:517 / 520
页数:4
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