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arXiv 1010.2860cond-mat.str-el
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强关联一维金属的电场响应:Bethe-Anneys密度泛函理论研究

Electric field response of strongly correlated one-dimensional metals: a Bethe-Ansatz density functional theory study

A. Akande, S. Sanvito

摘要:

本文从理论上研究了强关联一维金属对外加电场的响应特性。我们的研究是基于最近发展的Bethe-Angles局域密度近似(BALDA)的密度泛函理论制定的哈伯德模型。这是能够描述两个Luttinger液体和莫特绝缘体的相关性。静态线性极化率的BALDA计算值进行了比较,通过数值精确的方法,如精确(Lanczos)对角化和密度矩阵重整化群,在很宽的参数范围内得到的。在一般情况下,BALDA线性极化率与精确结果符合良好。精确的交换势和关联势的响应与扰动势指向相同的方向。这是很好地再现的BALDA方法,虽然精细的细节取决于特定的局部近似参数化。最后给出了交换泛函和关联泛函的非定域性的数值证明。

英文摘要:

We present a theoretical study on the response properties to an external electric field of strongly correlated one-dimensional metals. Our investigation is based on the recently developed Bethe-Ansatz local density approximation (BALDA) to the density functional theory formulation of the Hubbard model. This is capable of describing both Luttinger liquid and Mott-insulator correlations. The BALDA calculated values for the static linear polarizability are compared with those obtained by numerically accurate methods, such as exact (Lanczos) diagonalization and the density matrix renormalization group, over a broad range of parameters. In general BALDA linear polarizabilities are in good agreement with the exact results. The response of the exact exchange and correlation potential is found to point in the same direction of the perturbing potential. This is well reproduced by the BALDA approach, although the fine details depend on the specific parameterization for the local approximation. Finally we provide a numerical proof for the non-locality of the exact exchange and correlation 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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