Haule Kristjan, Chen Kun
Department of Physics and Astronomy, Rutgers University, Piscataway, NJ, 08854, USA.
Center for Computational Quantum Physics, Flatiron Institute, The Flatiron Institute is a division of the Simons Foundation, 162, 5th Avenue, New York, NY, 10010, USA.
Sci Rep. 2022 Feb 10;12(1):2294. doi: 10.1038/s41598-022-06188-6.
We calculate the single-particle excitation spectrum and the Landau liquid parameters for the archetypal model of solids, the three-dimensional uniform electron gas, with the variational diagrammatic Monte Carlo method, which gives numerically controlled results without systematic error. In the metallic range of density, we establish benchmark values for the wave-function renormalization factor Z, the effective mass [Formula: see text], and the Landau parameters [Formula: see text] and [Formula: see text] with unprecedented accuracy, and we resolve the long-standing puzzle of non-monotonic dependence of mass on density. We also exclude the possibility that experimentally measured large reduction of bandwidth in Na metal can originate from the charge and spin fluctuations contained in the model of the uniform electron gas.
我们使用变分图解蒙特卡罗方法计算了固体的典型模型——三维均匀电子气的单粒子激发谱和朗道液体参数，该方法给出了无系统误差的数值可控结果。在密度的金属范围内，我们以前所未有的精度确定了波函数重整化因子Z、有效质量[公式：见原文]以及朗道参数[公式：见原文]和[公式：见原文]的基准值，并解决了质量对密度的非单调依赖性这一长期存在的难题。我们还排除了实验测量的钠金属带宽大幅减小可能源于均匀电子气模型中电荷和自旋涨落的可能性。
