CHEERS: A tool for Correlated Hole-Electron Evolution from Real-time Simulations

TL;DR

CHEERS is a computational tool that employs a nonequilibrium Green's function scheme to simulate real-time dynamics of many-body systems out of equilibrium, capturing correlation effects for various ultrafast phenomena.

Contribution

The paper introduces CHEERS, a practical NEGF-based software that extends Hartree-Fock dynamics with many-body self-energy for real-time simulations of correlated quantum systems.

Findings

Successfully models time-dependent quantum transport.

Simulates ultrafast photoabsorption phenomena.

Incorporates dynamical correlation effects into real-time evolution.

Abstract

We put forward a practical nonequilibrium Green's function (NEGF) scheme to perform real-time evolutions of many-body interacting systems driven out of equilibrium by external fields. CHEERS is a computational tool to solve the NEGF equation of motion in the so called generalized Kadanoff-Baym ansatz and it can be used for model systems as well as first-principles Hamiltonians. Dynamical correlation (or memory) effects are added to the Hartree-Fock dynamics through a many-body self-energy. Applications to time-dependent quantum transport, time-resolved photoabsorption and other ultrafast phenomena are discussed.