English

Towards Excitations and Dynamical Quantities in Correlated Lattices with Density Matrix Embedding Theory

Strongly Correlated Electrons 2025-11-13 v2 Chemical Physics Computational Physics

Abstract

Density matrix embedding theory (DMET) provides a framework to describe ground-state expectation values in strongly correlated systems, but its extension to dynamical quantities is still an open problem. We show one route to obtaining excitations and dynamical spectral functions by using the techniques of DMET to approximate the matrix elements that arise in a single-mode inspired excitation ansatz. We demonstrate this approach in the 1D Hubbard model, comparing the neutral excitations, single-particle density of states, charge, and spin dynamical structure factors to benchmarks from the Bethe ansatz and density matrix renormalization group. Our work highlights the potential of these ideas in building computationally efficient approaches for dynamical quantities.

Keywords

Cite

@article{arxiv.2503.08880,
  title  = {Towards Excitations and Dynamical Quantities in Correlated Lattices with Density Matrix Embedding Theory},
  author = {Shuoxue Li and Chenghan Li and Huanchen Zhai and Garnet Kin-Lic Chan},
  journal= {arXiv preprint arXiv:2503.08880},
  year   = {2025}
}

Comments

10 pages, 10 figures (main text); 5 figures (SI)