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Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2019-02-14 , DOI: 10.1016/j.cplett.2019.01.056
Abhilash Patra , Prasanjit Samal

Colle-Salvetti type energy functionals for dynamical correlation are constructed for two-dimensional quantum systems. These correlation functionals depend on the 2D-Becke88 exchange energy functional and contain a progressive part which can be updated by taking a perfect approximation of the pair density and redefining the adjustable parameters. Assessment of these proposed functionals is endorsed through parabolic quantum dot systems. The exact correlation energies along with self-consistent results corresponding to two existing correlation functionals are calculated for comparison. The calculated correlation energies for the considered quantum dot systems agree well with the reference results having the minimum error among all considered functionals.



中文翻译:

二维量子点系统的Colle-Salvetti类型相关函数

为二维量子系统构建了用于动态相关的Colle-Salvetti型能量泛函。这些相关函数依赖于2D-Becke88交换能量函数,并且包含一个渐进部分,可以通过对对密度的完美近似并重新定义可调参数来进行更新。通过抛物线量子点系统认可了对这些拟议功能的评估。计算精确的相关能量以及与两个现有相关函数相对应的自洽结果,以进行比较。对于所考虑的量子点系统,计算出的相关能量与在所有所考虑的功能中具有最小误差的参考结果非常吻合。

更新日期:2019-02-14
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