论文标题
多轨量子点的交换相关电位受一般密度相互作用和Hund的规则耦合
Exchange-correlation potentials for multi-orbital quantum dots subject to generic density-density interactions and Hund's rule coupling
论文作者
论文摘要
通过从精确溶液进行反向工程，我们获得了双量子点的hartree-extchange相关（HXC）势，这些量子点受一般密度相互作用和Hund的规则耦合。我们发现HXC电位的普遍存在的步骤结构可以理解并从稳定图的分析中得出。我们进一步表明，通用的HXC电势可以分解为四个基本电位，从而可以直接进行参数化，并为建造HXC电位铺平道路，以进行相互作用的多轨系统。最后，我们在多轨量子点的密度功能理论计算中采用了HXC电位的参数化，并与精确的多体计算找到了极好的一致性。
By reverse-engineering from exact solutions we obtain Hartree-exchange-correlation (Hxc) potentials for a double quantum dot subject to generic density-density interactions and Hund's rule coupling. We find ubiquitous step structures of the Hxc potentials that can be understood and derived from an analysis of stability diagrams. We further show that a generic Hxc potential can be decomposed into four basic potentials which allows for a straight-forward parametrization and paves the road for the construction of Hxc potentials for interacting multi-orbital systems. Finally we employ our parametrization of the Hxc potential in density functional theory calculations of multi-orbital quantum dots and find excellent agreement with exact many-body calculations.
