Bulletin of the American Physical Society
2024 APS March Meeting
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session W60: Ultrafast Dynamics from Electron-Phonon Interactions II
3:00 PM–6:00 PM,
Thursday, March 7, 2024
Room: 207AB
Sponsoring
Unit:
DCOMP
Chair: Eric Switzer, University of Central Florida
Abstract: W60.00003 : AB-G0W0: An efficient G0W0 method without frequency integration based on an auxiliary boson expansion*
3:48 PM–4:00 PM
Presenter:
Johannes F Tölle
(Caltech)
Authors:
Johannes F Tölle
(Caltech)
Garnet Chan
(Caltech)
This frequency integration results in a variety of practical complications, potentially limiting the area of application, or necessitating additional approximations.
Recently, we have demonstrated the exact connection between G0W0 and equation-of-motion (EOM) approaches [1].
Based on this connection, we propose a new and efficient method for the determination of G0W0 quasiparticle energies which avoids frequency integration and consequently commonly faced problems in G0W0 calculations.
To achieve this, we make use of an auxiliary boson (AB) expansion which scales linearly with the system size.
1) J. Tölle, and Garnet K.-L. Chan, J. Chem. Phys. 158, 124123 (2023)
*J.T. gratefully acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) through DFG-495279997.
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