Toward GW Calculations on Thousands of Atoms

Wilhelm, J; Golze, D; Talirz, L; Hutter, J; Pignedoli, CA

Wilhelm, J (reprint author), Univ Zurich, Dept Chem, Winterthurerstr 190, CH-8057 Zurich, Switzerland.; Pignedoli, CA (reprint author), Swiss Fed Labs Mat Sci & Technol Empa, Uberlandstr 129, CH-8600 Dubendorf, Switzerland.; Wilhelm, J (reprint author), B

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018; 9 (2): 306

Abstract

The GW approximation of many-body perturbation theory is an accurate method for computing electron addition and removal energies of molecules and soli......

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