构造非局部动能密度泛函
Constructing nonlocal density functionals for kinetic energy
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.
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