Unphysical Discontinuities in GW Methods
Published in Journal of Chemical Theory and Computation, 2018
Recommended citation: "Unphysical Discontinuities in GW Methods" Mickaël Véril, Pina Romaniello, J. A. Berger, and Pierre-François Loos Journal of Chemical Theory and Computation 2018 14 (10), 5220-5228 DOI: 10.1021/acs.jctc.8b00745 http://mveril.github.io/files/2018-09-13-Unphysical-Discontinuities-in-GW-Methods.pdf
We report unphysical irregularities and discontinuities in some key experimentally measurable quantities computed within the GW approximation of many-body perturbation theory applied to molecular systems.
Recommended citation: J. Chem. Theory Comput., 2018, 14 (10), pp 5220–5228
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