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arXiv 0910.0534cond-mat.str-elcond-mat.mtrl-sci
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约化密度矩阵泛函理论下均匀电子气的非共线自旋螺旋相

Non-collinear spin-spiral phase for the uniform electron gas within Reduced-Density-Matrix-Functional Theory

F. G. Eich, S. Kurth, C. R. Proetto, S. Sharma, E. K. U. Gross

摘要:

在约化密度矩阵泛函理论的框架下研究了均匀电子气的非共线自旋螺旋密度波。对于哈特里-福克近似,它可以作为约化密度矩阵泛函理论的一个极限情况得到,奥弗豪泽很久以前就证明了电子气的顺磁状态对于电荷或自旋密度波的形成是不稳定的。本文不仅对Hartree-Fock近似下的自旋螺旋密度波进行了详细的数值研究,而且利用最近提出的密度矩阵泛函研究了关联对自旋螺旋密度波不稳定性的影响.

英文摘要:

The non-collinear spin-spiral density wave of the uniform electron gas is studied in the framework of Reduced-Density-Matrix-Functional Theory. For the Hartree-Fock approximation, which can be obtained as a limiting case of Reduced-Density-Matrix-Functional Theory, Overhauser showed a long time ago that the paramagnetic state of the electron gas is unstable with respect to the formation of charge or spin density waves. Here we not only present a detailed numerical investigation of the spin-spiral density wave in the Hartree-Fock approximation but also investigate the effects of correlations on the spin-spiral density wave instability by means of a recently proposed density-matrix 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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