Fast Green's function method for ultrafast electron-boson dynamics
arXiv:2006.14965 · doi:10.1103/PhysRevLett.127.036402
Abstract
The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green's function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation. We put forward a computationally efficient Green's function scheme which overcomes both limitations. The numerical effort scales linearly with the propagation time while the simultaneous dressing of electrons and bosons guarantees the fulfillment of all fundamental conservation laws. We present a real-time study of the phonon-driven relaxation dynamics in an optically excited narrow band-gap insulator, highlighting the nonthermal behavior of the phononic degrees of freedom. Our formulation paves the way to first-principles simulations of electron-boson systems with unprecedented long propagation times.
7 pages, with additional supplementary materials
References in corpus (44)
- An optically stimulated superconducting-like phase in K3C60 far above equilibrium Tc
- Conductivity in organic semiconductors hybridized with the vacuum field
- Nonlinear phononics: A new ultrafast route to lattice control
- Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5
- QuSpin: a Python Package for Dynamics and Exact Diagonalisation of Quantum Many Body Systems part I: spin chains
- Froehlich Polaron and Bipolaron: Recent Developments
- First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
- Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
- QuSpin: a Python Package for Dynamics and Exact Diagonalisation of Quantum Many Body Systems. Part II: bosons, fermions and higher spins
- Nonequilibrium dynamical mean-field theory
- Taming the dynamical sign problem in real-time evolution of quantum many-body problems
- Ultrafast Electronic Band Gap Control in an Excitonic Insulator
- Ab-initio non-relativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
- Theory of light-enhanced phonon-mediated superconductivity
- Nonequilibrium steady states and transient dynamics of conventional superconductors under phonon driving
- The theory of parametrically amplified electron-phonon superconductivity
- Theory of Thermal Relaxation of Electrons in Semiconductors
- Recent developments in Quantum Monte-Carlo simulations with applications for cold gases
- Real-time solutions of coupled Ehrenfest-Maxwell-Pauli-Kohn-Sham equations: fundamentals, implementation, and nano-optical applications
- Charge dynamics in molecular junctions: Nonequilibrium Green's Function approach made fast
- Achieving the Ultimate Scaling Limit for Nonequilibrium Green Functions Simulations
- Direct observation of Higgs mode oscillations in the pump-probe photoemission spectra of electron-phonon mediated superconductors
- Hubbard nanoclusters far from equilibrium
- Nonequilibrium dynamics in the one-dimensional Fermi-Hubbard model: A comparison of the nonequilibrium Green functions approach and the density matrix renormalization group method
- Interaction quench in the Holstein model: Thermalization crossover from electron- to phonon-dominated relaxation
- First-principles nonequilibrium Green's function approach to transient photoabsorption: Application to atoms
- The G1--G2 Scheme: Dramatic Acceleration of Nonequilibrium Green Functions Simulations Within the Hartree--Fock-GKBA
- Phonon-enhanced relaxation and excitation in the Holstein-Hubbard model
- Multi-set matrix product state calculations reveal mobile Franck-Condon excitations under strong Holstein-type coupling
- Time-dependent many-body treatment of electron-boson dynamics: application to plasmon-accompanied photoemission
- Charge separation in donor-C60 complexes with real-time Green's functions: The importance of nonlocal correlations
- Pump driven normal-to-excitonic insulator transition: Josephson oscillations and signatures of BEC-BCS crossover in time-resolved ARPES
- Multiple amplitude modes in strongly-coupled phonon-mediated superconductors
- Ultrafast nonequilibrium evolution of excitonic modes in semiconductors
- Many-body Green's function theory for electron-phonon interactions: the Kadanoff-Baym approach to spectral properties of the Holstein dimer
- CHEERS: A tool for Correlated Hole-Electron Evolution from Real-time Simulations
- Signatures of electron-magnon interaction in charge and spin currents in magnetic tunnel junctions: A nonequilibrium many-body perturbation theory approach
- Conserving approximations in cavity quantum electrodynamics: Implications for density functional theory of electron-photon systems
- Floquet topological phase of nondriven -wave nonequilibrium excitonic insulators
- Many-body Green's function theory for electron-phonon interactions: ground state properties of the Holstein dimer
- Initial correlated states for the Generalized Kadanoff--Baym Ansatz without adiabatic switching-on of interactions in closed systems
- A functional approach to the electronic and bosonic dynamics of many-body systems perturbed with an arbitrary strong electron-boson interaction
- Bosonic self-energy functional theory
- Effects of photon field on heat transport through a quantum wire attached to leads
Cited by in corpus (38)
- A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
- Real-time GW: Toward an ab initio description of the ultrafast carrier and exciton dynamics in two-dimensional materials
- Multi-gap topology and non-Abelian braiding of phonons from first principles
- Time-linear scaling NEGF methods for real-time simulations of interacting electrons and bosons. I. Formalism
- The dynamically screened ladder approximation: Simultaneous treatment of strong electronic correlations and dynamical screening out of equilibrium
- 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
- Time-linear scaling NEGF methods for real-time simulations of interacting electrons and bosons. II. Dynamics of polarons and doublons
- Memory truncated Kadanoff-Baym equations
- Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods
- Non-equilibrium correlation dynamics in the one-dimensional Fermi-Hubbard model: A testbed for the two-particle reduced density matrix theory
- Theory of coherent phonons coupled to excitons
- Interacting electrons and bosons in the doubly screened approximation: A time-linear scaling method for first-principles simulations
- Accelerating Nonequilibrium Green functions simulations: the G1-G2 scheme and beyond
- Electron correlation effects in superconducting nanowires in and out of equilibrium
- Adaptive Time Stepping for the Two-Time Integro-Differential Kadanoff-Baym Equations
- Accelerating Nonequilibrium Green functions simulations with embedding selfenergies
- Exciton migration in two-dimensional materials
- Excitonic Bloch equations from first principles
- Understanding polaritonic chemistry from ab initio quantum electrodynamics
- Doublon production in correlated materials by multiple ion impacts
- Electroluminescence rectification and high harmonic generation in molecular junctions
- Memory-Efficient Nonequilibrium Green's Function Framework Built On Quantics Tensor Trains
- Coherence and de-coherence in the Time-Resolved ARPES of realistic materials: an ab-initio perspective
- Vibrational dynamics of CO on Pd(111) in and out of thermal equilibrium
- Nonlinear optical spectroscopy of open quantum systems
- Interacting electrons in a flat-band system within the Generalized Kadanoff-Baym Ansatz
- Thermoelectric energy conversion in molecular junctions out of equilibrium
- Beyond-quasiparticle transport with vertex correction: self-consistent ladder formalism for electron-phonon interactions
- Photon pumping, photodissociation and dissipation at interplay for the fluorescence of a molecule in a cavity
- Energy flow during relaxation in an electron-phonon system with multiple modes: A nonequilibrium Green's function study
- Microscopic theory of current-induced skyrmion transport and its application in disordered spin textures
- A causality-based divide-and-conquer algorithm for nonequilibrium Green's function calculations with quantics tensor trains
- Excitonic effects in the photocarriers dynamics of two-dimensional materials
- Stability bounds for the generalized Kadanoff-Baym ansatz in the Holstein dimer
- On the modeling of irreversibility by relaxator Liouville dynamics
- Cutting rules and positivity in finite temperature many-body theory
- Non-Markovian quantum kinetic simulations of uniform dense plasmas: mitigating the aliasing problem