A short-range correlation energy density functional with multi-determinantal reference
A short-range correlation energy density functional with multi-determinantal reference
复制标题
具有多行列式参考的短程相关能量密度泛函
DOI：
10.1007/s00214-005-0688-2
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发表时间：
2005
影响因子：
1.7
通讯作者：
A. Savin
中科院分区：
文献类型：
--
作者：
J. Toulouse;P. Gori;A. Savin
我们引入了一个关于多行列式参考的短程关联密度泛函，它用于基于库仑电子-电子相互作用的长程/短程分解的密度泛函理论的Kohn-Sham方案的多行列式扩展。我们构造了该泛函的局域密度近似，并讨论了它在He原子上的性能。
We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of the Kohn–Sham scheme of density functional theory based on a long-range/short-range decomposition of the Coulomb electron–electron interaction. We construct the local density approximation for this functional and discuss its performance on the He atom.