量子嵌入理论
Quantum embedding theories
摘要：
在复杂系统中，通常情况下，感兴趣区域仅形成大得多的系统的一部分。将两个不同的量子模拟-对感兴趣的活动区域的高级计算和对其环境的低级计算-结合的想法正式定义了量子嵌入。虽然任何技术的组合构成了一个嵌入，几个严格的形式主义已经出现，提供嵌入式系统和它的环境之间的准确反馈。这三种配方：密度泛函嵌入、格林函数嵌入和密度矩阵嵌入分别以单粒子密度、单粒子格林函数和单粒子密度矩阵作为感兴趣的量子变量。许多优秀的评论存在个别涵盖这些方法。然而，不同的形式主义的统一介绍是迄今为止缺乏。实际上，常用的各种语言：密度泛函嵌入的泛函方程;格林函数嵌入的纠缠论;和密度矩阵嵌入的纠缠论，使得这三种公式看起来有很大的不同。在这个帐户中，我们介绍了所有三个配方的基本方程，以突出他们的许多共同的知识链。虽然我们主要集中在一个简单的理论观点，我们也给出了一个简短的概述，最近的应用，和未来可能的发展。
英文摘要：
In complex systems, it is often the case that the region of interest forms only one part of a much larger system. The idea of joining two different quantum simulations - a high level calculation on the active region of interest, and a low level calculation on its environment - formally defines a quantum embedding. While any combination of techniques constitutes an embedding, several rigorous formalisms have emerged that provide for exact feedback between the embedded system and its environment. These three formulations: it density functional embedding, Green's function embedding, and density matrix embedding, respectively use the single-particle density, single-particle Green's function, and single-particle density matrix as the quantum variables of interest. Many excellent reviews exist covering these methods individually. However, a unified presentation of the different formalisms is so far lacking. Indeed, the various languages commonly used: functional equations for density functional embedding; diagrammatics for Green's function embedding; and entanglement arguments for density matrix embedding, make the three formulations appear vastly different. In this account, we introduce the basic equations of all three formulations in such a way as to highlight their many common intellectual strands. While we focus primarily on a straightforward theoretical perspective, we also give a brief overview of recent applications, and possible future developments.
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。
