Performance of wave function and Green's function methods for non-equilibrium many-body dynamics
Creators
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.zip
Files
(211.2 MB)
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Additional details
Identifiers
- arXiv
- arXiv:2405.08814
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