论文标题
基于密度基质扩展的键依赖键依赖的从属粒子簇理论
Bond-dependent slave-particle cluster theory based on density matrix expansion
论文作者
论文摘要
在晶格上处理相互作用的电子问题的有效，准确的计算方法对凝聚态物质社区具有广泛的兴趣。对于相互作用的Hubbard模型，我们引入了一种群集的从属粒子方法，该方法可为总能量，现场占用和相互作用能量提供高度准确的计算节省。与使用密度矩阵重新归一化组的精确基准相比，$ d $ - $ p $ hubbard模型，我们的方法使用较低的计算成本降低了两到三个数量级，从而提供准确的结果。我们的方法基于一种新型的从属粒子分解，改进了颗粒跳的描述，以及一种新的密度矩阵膨胀方法，其中相互作用的晶格从属粒子问题然后将其变成一组重叠的真实空间群集，这些群集在共享的lattice clusters之间在共享的晶格站点之间进行适当的物理匹配约束而自我求解。
Efficient and accurate computational methods for dealing with interacting electron problems on a lattice are of broad interest to the condensed matter community. For interacting Hubbard models, we introduce a cluster slave-particle approach that provides significant computational savings with high accuracy for total energies, site occupancies, and interaction energies. Compared to exact benchmarks using density matrix renormalization group for $d$-$p$ Hubbard models, our approach delivers accurate results using two to three orders of magnitude lower computational cost. Our method is based on a novel slave-particle decomposition with an improved description of particle hoppings, and a new density matrix expansion method where the interacting lattice slave-particle problem is then turned into a set of overlapping real-space clusters which are solved self-consistently with appropriate physical matching constraints at shared lattice sites between clusters.
