论文标题
动态屏蔽的梯子近似:同时处理强电子相关性和动态筛选。
The dynamically screened ladder approximation: Simultaneous treatment of strong electronic correlations and dynamical screening out of equilibrium
论文作者
论文摘要
动力筛选是带电多粒子系统的关键特性。它的理论描述基于广泛应用于地面和平衡情况的$ GW $近似,但也用于脱离平衡的系统。 $ GW $近似的主要局限性是忽略强电子相关效应,这些效应在许多材料以及密集的等离子体中都很重要。在这里,我们得出了动态筛选的梯子(DSL)近似值,除了$ GW $图外,还包括粒子和粒子 - 孔 - 孔$ t $ -matrix图。该推导基于降低密度 - 操作器理论,其结果等效于最近呈现的G1-G2方案[Schlünzen\ textit {et al。},phys。莱特牧师。 \ textbf {124},076601(2020); JOOST \ textit {等},物理。 Rev. B \ TextBf {101},245101(2020)]。我们对有限的哈伯德群集进行了广泛的时间依赖性DSL模拟,并针对确切的结果进行了测试,这些结果证实了良好的准确性以及近似值的总能量保护。在强耦合和长时间的模拟持续时间内,可以观察到不稳定性。这些问题是通过执行收缩一致性和应用纯化方法来解决的。
Dynamical screening is a key property of charged many-particle systems. Its theoretical description is based on the $GW$ approximation that is extensively applied for ground-state and equilibrium situations but also for systems driven out of equilibrium. The main limitation of the $GW$ approximation is the neglect of strong electronic correlation effects that are important in many materials as well as in dense plasmas. Here we derive the dynamically screened ladder (DSL) approximation that selfconsistently includes, in addition to the $GW$ diagrams, also particle--particle and particle--hole $T$-matrix diagrams. The derivation is based on reduced-density-operator theory and the result is equivalent to the recently presented G1--G2 scheme [Schlünzen \textit{et al.}, Phys. Rev. Lett. \textbf{124}, 076601 (2020); Joost \textit{et al.}, Phys. Rev. B \textbf{101}, 245101 (2020)]. We perform extensive time-dependent DSL simulations for finite Hubbard clusters and present tests against exact results that confirm excellent accuracy as well as total energy conservation of the approximation. At strong coupling and for long simulation durations, instabilities are observed. These problems are solved by enforcing contraction consistency and applying a purification approach.