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

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.

15 pages, 6 figures, to be published, J. Phys.: Condens. Matter (2018)

References in corpus (12)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• A time-dependent approach to electron pumping in open quantum systems
• First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra
• Time-dependent second Born calculations for model atoms and molecules in strong laser fields
• Propagating two-particle reduced density matrices without wavefunctions
• Transient charge and energy flow in the wide-band limit
• Luttinger-field approach to thermoelectric transport in nanoscale conductors
• Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
• Charge separation in donor-C60 complexes with real-time Green's functions: The importance of nonlocal correlations
• Electronic double-excitations in quantum wells: solving the two-time Kadanoff-Baym equations
• Real-time dynamics of Auger wavepackets and decays in ultrafast charge migration processes
• Spectral properties from Matsubara Green's function approach - application to molecules

Cited by in corpus (22)

• Fast Green's function method for ultrafast electron-boson dynamics
• Real-time GW: Toward an ab initio description of the ultrafast carrier and exciton dynamics in two-dimensional materials
• Green's function methods for single molecule junctions
• Low rank compression in the numerical solution of the nonequilibrium Dyson equation
• Comparing the generalized Kadanoff-Baym ansatz with the full Kadanoff-Baym equations for an excitonic insulator out of equilibrium
• Pump driven normal-to-excitonic insulator transition: Josephson oscillations and signatures of BEC-BCS crossover in time-resolved ARPES
• A many-body approach to transport in quantum systems: From the transient regime to the stationary state
• Time-linear quantum transport simulations with correlated nonequilibrium Green's functions
• Floquet topological phase of nondriven $p$-wave nonequilibrium excitonic insulators
• Photoinduced dynamics of organic molecules using nonequilibrium Green's functions with second-Born, $GW$, $T$-matrix and three-particle ladder correlations
• Dialogue on analytical and ab initio methods in attoscience
• A quantum Boltzmann equation for strongly correlated electrons
• Electronic transport in molecular junctions: The generalized Kadanoff-Baym ansatz with initial contact and correlations
• Steering Magnetic Skyrmions with Nonequilibrium Green's Functions
• Theory of coherent phonons coupled to excitons
• Interacting electrons and bosons in the doubly screened $G\tilde{W}$ approximation: A time-linear scaling method for first-principles simulations
• Neutralization dynamics of slow highly charged ions passing through graphene nanoflakes--an embedding self-energy approach
• Build-up of Vibron-Mediated Electron Correlations in Molecular Junctions
• Ultrafast creation and melting of nonequilibrium excitonic condensates in bulk WSe${}_2$
• Efficient computation of the second-Born self-energy using tensor-contraction operations
• The dissection algorithm for the second-Born self-energy
• Interacting electrons in a flat-band system within the Generalized Kadanoff-Baym Ansatz