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arXiv 2209.02807cond-mat.mtrl-sci
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构造非局部动能密度泛函

Constructing nonlocal density functionals for kinetic energy

I. I. Mazin

摘要:

提出了一种新的构造能量密度泛函的方法,该泛函包含对密度梯度的非局部依赖性。这种方法被用来构造动能泛函,这是一个非局部推广的Fermi-Kirzhnits泛函。

英文摘要:

A new method is proposed for constructing energy density functionals, which include a nonlocal dependence on the density gradients. This method is used to construct functionals for kinetic energy, which is a nonlocal generalization of the Thomas-Fermi-Kirzhnits functional.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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