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Electronic structure calculations based on the one particle Green's function and DFT
Title: Electronic structure calculations based on the one particle Green's function and DFT
DNr: NAISS 2024/22-1526
Project Type: NAISS Small Compute
Principal Investigator: Thijs Jan Holleboom <thijs.holleboom@kau.se>
Affiliation: Karlstads universitet
Duration: 2024-11-15 – 2025-12-01
Classification: 10304
Keywords:

Abstract

Different approximations for calculating the one particle Green's function, following a DFT calculation, will be tested for medium sized finite systems, both surfaces and bulk systems.