Published March 28, 2025 | Version v2
Dataset Open

Performance of wave function and Green's function methods for non-equilibrium many-body dynamics

  • 1. ROR icon University of California, Santa Barbara
  • 2. ROR icon University of California, Berkeley

Description

In this repository we have compiled 1-RDMs on a time grid obtained from various methods, namely, time-dependent full configuration interaction (TD-FCI), time-dependent coupled cluster (TD-CC), time-dpendent Hartree-Fock (TD-HF), Kadanoff-Baym Equations, and generalized Kadanoff-Baym approximation (GKBA). We have evaluated the 1-RDMs from Hubbard model in presence of an external drive. We have included a PySCF script to generate the integrals with a specific choice for various parameters. One can reproduce the HF results from that script. The Python script to evaluate various observables that we have analyzed in our article, namely, time-dependent dipole moment, Von-Neumann entropy are also added. 

Files

neq_benchmark_v2.zip

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Additional details

Identifiers

Related works

Is published in
arXiv:2405.08814 (arXiv)

Funding

Office of Advanced Scientific Computing Research
Real-time dynamics of real correlated electrons in quantum materials DE-SC0022198

Dates

Available
2024-05-21