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Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach
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Electrical And Electronic Engineering
Atomic And Molecular Physics, And Optics
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Authors
Yueqing Chang
,
Erik Loon
Brandon Eskridge
,
Brian Busemeyer
,
Miguel Morales
,
Cyrus Dreyer
,
Andrew Millis
,
Shiwei Zhang
,
T. Wehling
,
Lucas Wagner
+8 authors
,
Malte Rösner
Journal
npj Computational Materials
Published
Jun 21, 2024
DOI
10.1038/s41524-024-01314-6
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