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Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory

机译:拉普拉斯可变换势的延迟响应函数的可逆性:在单体简化密度矩阵泛函理论中的应用

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摘要

A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classi cation of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classi cation of the non-uniqueness of the non-local potential in 1RDM functional theory can be givenforthe rsttime
机译:在以下条件下给出了任意响应函数的可逆性的一个定理:电位的时间依赖性应该是Laplace可变换的,初始状态应该是基态,尽管它可能会退化。该定理为时间依赖的线性响应机制中的所有密度函数式理论提供了严格的基础。特别是对于时间相关的单身简化密度矩阵(1RDM)功能理论,这是向前迈出的重要一步,因为目前缺乏坚实的基础。该定理在非退化情况下对于静态响应函数同样有效,因此可用于表征相应密度函数式理论的基态形式中势的唯一性。几十年来,对基态1RDM功能理论中非局部电位的唯一性进行了这样的分类。借助此处提出的可逆性定理,可以首次给出1RDM泛函理论中非局部势的非唯一性的完整分类

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  • 作者

    Giesbertz, K.J.H.;

  • 作者单位
  • 年度 2015
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  • 原文格式 PDF
  • 正文语种 en
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