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Importance of charge self-consistency in first-principles description of strongly correlated systems被引量：1
《npj Computational Materials》2021年第1期1949-1956,共8页Swagata Acharya Dimitar Pashov Alexander N.Rudenk Malte Rösner Mark van Schilfgaarde Mikhail I.Katsnelson 
M.I.K.,A.N.R.,and S.A.are supported by the ERC Synergy Grant,project 854843 FASTCORR(Ultrafast dynamics of correlated electrons in solids);M.v.S.and D.P.weresupported in the late stages of this work by the U.S.Department of Energy,Office of Science,Basic Energy Sciences under award FWP ERW7906.We acknowledge PRACE for awarding us access to Irene-Rome hosted by TGCC,France and Juwels Booster and Cluster,Germany.This work was also partly carried out on the Dutch national e-infrastructure with the support of SURF Cooperative.
First-principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate.As the electronic correlations become stronger often embedding ...
关键词：theory CHARGE PRINCIPLES 
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