Two-Component GW Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent GW Variants

Förster, A; van Lenthe, E; Spadetto, E; Visscher, L

van Lenthe, E (通讯作者)，Software Chem & Mat NV, NL-1081 Amsterdam, Netherlands.;Förster, A (通讯作者)，Vrije Univ, Theoret Chem, NL-1081 HV Amsterdam, Netherlands.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023; 19 (17): 5958

Abstract

We report an all-electron,atomic orbital (AO)-based,two-component(2C) implementation of the GW approximation (GWA)for closed-shell molecules. Our algo......

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