arXivDaily arXiv每日学术速递 周一至周五更新
北美退伍军人节(Veterans Day),12 日无更新
arXiv 2103.01972cond-mat.str-el
收藏

电子-声子问题的精确广义格林函数群展开

Numerically Exact Generalized Green's Function Cluster Expansions for Electron-Phonon Problems

Matthew R. Carbone, David R. Reichman, John Sous

摘要:

我们推广的家庭的近似动量平均方法,制定一个数值精确,收敛的方程组,其解决方案提供了一个有效的算法来计算格林函数的粒子穿着玻色子适合在整个参数制度。我们使用这种方法来提取基态属性和光谱功能。我们的近似自由的框架,被称为广义格林函数集群扩展(GGCE),允许访问精确的数值结果在极端绝热极限,许多标准方法的斗争或完全失败。我们展示了该方法的性能,专门介绍了固体和分子复合物中电荷-玻色子耦合的三种重要模型:描述电荷密度和局部畸变之间耦合的分子Holstein模型,描述由于位间畸变引起的电荷跳跃调制的Peierls模型,以及耦合到两个不同声子模式的更复杂的Holstein+Peierls系统,有机晶体中电荷-晶格相互作用的典范。GGCE作为一种有效的方法,可以系统地扩展到不同的物理场景,从而提供了一个工具来模拟在现实环境中的着装粒子的频率依赖性。

英文摘要:

We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by bosons suitable in the entire parameter regime. We use this approach to extract ground-state properties and spectral functions. Our approximation-free framework, dubbed the generalized Green's function cluster expansion (GGCE), allows access to exact numerical results in the extreme adiabatic limit, where many standard methods struggle or completely fail. We showcase the performance of the method, specializing three important models of charge-boson coupling in solids and molecular complexes: the molecular Holstein model, which describes coupling between charge density and local distortions, the Peierls model, which describes modulation of charge hopping due to intersite distortions, and a more complex Holstein+Peierls system with couplings to two different phonon modes, paradigmatic of charge-lattice interactions in organic crystals. The GGCE serves as an efficient approach that can be systematically extended to different physical scenarios, thus providing a tool to model the frequency dependence of dressed particles in realistic settings.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑