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We present an approach for GW calculations of quasiparticle energies with quasiquadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the GW code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5. 75^ twisted MoS₂ bilayer show how large-scale GW methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.
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Altman et al. (Tue,) studied this question.
www.synapsesocial.com/papers/68e785c8b6db6435876f8bed — DOI: https://doi.org/10.1103/physrevlett.132.086401
Aaron R. Altman
S K Kundu
Felipe H. da Jornada
Physical Review Letters
Stanford University
SLAC National Accelerator Laboratory
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