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Updated: Jun 28, 2025

Generation and Coherent Control of Pulsed Quantum Frequency Combs
Published on: June 8, 2018
AB-G0W0: A practical G0W0 method without frequency integration based on an auxiliary boson expansion
Johannes Tölle1, Garnet Kin-Lic Chan1
1Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.
Abstract:
Common G0W0 implementations rely on numerical or analytical frequency integration to determine the G0W0 self-energy, which results in a variety of practical complications. Recently, we have demonstrated an exact connection between the G0W0 approximation and equation-of-motion quantum chemistry approaches [J. Tölle and G. Kin-Lic Chan, J. Chem. Phys. 158, 124123 (2023)]. Based on this connection, we propose a new method to determine G0W0 quasiparticle energies, which completely avoids frequency integration and its associated problems. To achieve this, we make use of an auxiliary boson (AB) expansion. We name the new approach AB-G0W0 and demonstrate its practical applicability in a range of molecular problems.
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