Work

Benchmarking the exponential ansatz for the Holstein model

Year: 2024

Type: article

Abstract: Polarons are quasiparticles formed as a result of lattice distortions induced by charge carriers. The single-electron Holstein model captures the fundamentals of single polaron physics. We examine the power of the exponential ansatz for the polaron ground-state wavefunction in its coupled cluster, canonical transformation, and (canonically transformed) perturbative variants across the parameter space of the Holstein model. Our benchmark serves to guide future developments of polaron wavefunctions beyond the single-electron Holstein model.

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0225428

Authors: Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, Huanchen Zhai, David R. Reichman, Garnet Kin-Lic Chan

Institutions: California Institute of Technology, Columbia University

Language: English

Topic: Physics of Superconductivity and Magnetism

Subfield: Condensed Matter Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, Office of Science, Basic Energy Sciences, Advanced Scientific Computing Research

Awards: TRAVERSING THE “DEATH VALLEY” SEPARATING SHORT AND LONG TIMES IN NON-EQUILIBRIUM QUANTUM DYNAMICAL SIMULATIONS OF REAL MATERIALS, G2699111372, G4174758256, G5844539934, TRAVERSING THE “DEATH VALLEY” SEPARATING SHORT AND LONG TIMES IN NON-EQUILIBRIUM QUANTUM DYNAMICAL SIMULATIONS OF REAL MATERIALS