论文标题
温暖的电子气体的充电响应中的交换相关效应
Exchange-correlation effect in the charge response of a warm dense electron gas
论文作者
论文摘要
由于量子和经典波动的相互作用，对自然界和实验室中广泛存在的温暖密集物质的研究具有挑战性。我们开发了一种差异图蒙特卡洛法，并确定温暖的密度电子气体的交换相关内核$ k _ {\ rm xc}（q; t）$，用于广泛的温度$ t $和动量$ q $。我们观察到几种有趣的物理学，包括驼峰结构的$ t $依赖性演变以及巨大的Q $尾巴以及缩放关系的出现。特别是，通过为$ q \ to \ infty $得出分析表格，我们获得了高精度的$ k _ {\ rm xc} $的大$ q $尾巴。结果表明，$ k _ {\ rm xc} $数据可以可靠地转换为真实空间，可直接用于对实际温暖密集物质的密度功能理论计算。
The study of warm dense matter, widely existing in nature and laboratories, is challenging due to the interplay of quantum and classical fluctuations. We develop a variational diagrammatic Monte Carlo method and determine the exchange-correlation kernel $K_{\rm XC}(q;T)$ of a warm dense electron gas for a broad range of temperature $T$ and momentum $q$. We observe several interesting physics, including the $T$-dependent evolution of the hump structure and the large-$q$ tail and the emergence of a scaling relation. Particularly, by deriving an analytical form for $q \to \infty$, we obtain large-$q$ tails of $K_{\rm XC}$ with high precision. It is shown that the $K_{\rm XC}$ data can be reliably transformed into real space, which can be directly used in density-functional-theory calculations of real warm dense matter.
