NEW METHOD FOR CALCULATING THE ONE-PARTICLE GREEN'S FUNCTION WITH APPLICATION TO THE ELECTRON-GAS PROBLEM

By L. Hedin. 1965

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Neural Message Passing for Quantum Chemistry (2017, neutral): “…a hierarchy of approximations to quantum mechanics with varying tradeoffs of speed and accuracy, such as Density Functional Theory (DFT) with a variety of functionals (Becke, 1993; Hohenberg & Kohn, 1964), the GW approximation (Hedin, 1965), and Quantum Monte-Carlo (Ceperley & Alder, 1986).”
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code (2019, methodology): “electron eigenvalues obtained from DFT within a many-body quasiparticle framework [77, 78].”
Reformulation of DFT + U as a pseudohybrid hubbard density functional for accelerated materials discovery (2015, background): “Higher-order levels of theory exist that are able to predict, with great accuracy, the energy gaps (the GW approximation [12] and dynamical mean-field theory [13–15], among others), but they are computationally expensive and unsuitable for extensive high-throughput materials characterization [16,17]”