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

2024/05/14 by Reeves, Cian C., Avijit Shee, Harsha, Gaurav +10 · 2 citations
Physics and Astronomy · #Cold Atom Physics and Bose-Einstein Condensates #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el) #Theoretical and Computational Physics

paper · pdf · doi:10.48550/arxiv.2405.08814

openalex publication_date 2024/05/14 · openalex created_date 2024/05/16 · openalex updated_date 2026/07/31

Abstract

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.

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