Benchmarking the Exponential Ansatz for the Holstein model
Materials Science
2024-06-03 v1 Chemical Physics
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.
Keywords
Cite
@article{arxiv.2405.18771,
title = {Benchmarking the Exponential Ansatz for the Holstein model},
author = {Junjie Yang and Zhi-Hao Cui and Ankit Mahajan and Huanchen Zhai and David R. Reichman and Garnet Kin-Lic Chan},
journal= {arXiv preprint arXiv:2405.18771},
year = {2024}
}
Comments
10 pages, 6 figures