String-truncated configuration interaction calculations

被引:0
|
作者
Bendazzoli, GL
Evangelisti, S
机构
来源
GAZZETTA CHIMICA ITALIANA | 1996年 / 126卷 / 09期
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We study the properties of a limited CI scheme where truncation is performed on strings instead of determinants. This scheme is very easily implemented in a direct way and provides good approximations of the Full CI energies at the expenses of some spin contamination. A way to estimate the latter is proposed. A property related to the spin reversal symmetry is proved in the Appendix.
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页码:619 / 623
页数:5
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