Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics
Karlsson, D., van Leeuwen, R., Pavlyukh, Y., Perfetto, E., & Stefanucci, G. (2021). Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics. Physical Review Letters, 127(3), Article 036402. https://doi.org/10.1103/PhysRevLett.127.036402
Published inPhysical Review Letters
© 2021 American Physical Society
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. ...
PublisherAmerican Physical Society (APS)
Publication in research information system
MetadataShow full item record
Related funder(s)Academy of Finland
Funding program(s)Academy Project, AoF; Postdoctoral Researcher, AoF
Additional information about fundingD. K. would like to thank the Academy of Finland for funding under Project No. 308697. R. v. L. would like to thank the Academy of Finland for support under Grant No. 317139. G. S., E. P., and Y. P. acknowledge the financial support from MIUR PRIN (Grant No. 20173B72NB), from INFN through the TIME2QUEST project, and from Tor Vergata University through the Beyond Borders Project ULEXIEX.
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