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Internal consistency of multi-tier GW+EDMFT

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摘要 The multi-tier GW+EDMFT scheme is an ab-initio method for calculating the electronic structure of correlated materials.While the approach is free from ad-hoc parameters,it requires a selection of appropriate energy windows for describing low-energy and strongly correlated physics.In this study,we test the consistency of the multi-tier description by considering different low-energy windows for a series of cubic SrXO_(3)(X=V,Cr,Mn)perovskites.
出处 《npj Computational Materials》 CSCD 2024年第1期1377-1387,共11页 计算材料学(英文)
基金 supported by the Swiss National Science Foundation via NCCR Marvel and SNSF Grant No.200021-196966.
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