1. Numerically Exact Generalized Green's Function Cluster Expansions for Electron-Phonon Problems
- Author
-
John Sous, Matthew R. Carbone, and David R. Reichman
- Subjects
Physics ,Coupling ,Strongly Correlated Electrons (cond-mat.str-el) ,Phonon ,FOS: Physical sciences ,Charge (physics) ,02 engineering and technology ,Function (mathematics) ,021001 nanoscience & nanotechnology ,01 natural sciences ,Momentum ,symbols.namesake ,Condensed Matter - Strongly Correlated Electrons ,Green's function ,0103 physical sciences ,symbols ,Statistical physics ,010306 general physics ,0210 nano-technology ,Adiabatic process ,Cluster expansion - Abstract
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., 13 pages, 6 figures main text + 1 figure appendices
- Published
- 2021