论文标题
动态模式分解,用于推断非平衡绿色功能动力学
Dynamic Mode Decomposition for Extrapolating Non-equilibrium Green's Functions Dynamics
论文作者
论文摘要
HF-GKBA提供了近似的数值程序,用于传播两次非平衡绿色功能(NEGF)。在这里,我们将HF-GKBA与具有长距离相互作用的多种系统,不同的两体相互作用强度和各种非平衡制剂进行比较。当考虑到更现实的长期衰减相互作用时,我们发现HF-GKBA与精确的时间演变之间的出色一致性。该协议持续很长时间,并以中间至强大的相互作用强度。在大型系统中,HF-GKBA对于长期发展而变得非常昂贵。因此,请查看使用动态模式分解(DMD)从初始轨迹样本中重建长期的NEGF轨迹。使用总时间演变的不超过16%,我们以高保真度重建了总轨迹。我们的结果表明,与HF-GKBA结合使用DMD来计算大规模系统中的长时间轨迹。
The HF-GKBA offers an approximate numerical procedure for propagating the two-time non-equilibrium Green's function(NEGF). Here we compare the HF-GKBA to exact results for a variety of systems with long and short-range interactions, different two-body interaction strengths and various non-equilibrium preparations. We find excellent agreement between the HF-GKBA and exact time evolution in models when more realistic long-range exponentially decaying interactions are considered. This agreement persists for long times and for intermediate to strong interaction strengths. In large systems, HF-GKBA becomes prohibitively expensive for long-time evolutions. For this reason, look at the use of dynamical mode decomposition(DMD) to reconstruct long-time NEGF trajectories from a sample of the initial trajectory. Using no more than 16\% of the total time evolution we reconstruct the total trajectory with high fidelity. Our results show the potential for DMD to be used in conjunction with HF-GKBA to calculate long time trajectories in large-scale systems.