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SUMMARY:Everything Everywhere All at Once: Strong Correlations from Hidden
  Symmetry Breaking in Dynamical Mean-Field Theory
DTSTART:20260513T130000Z
DTEND:20260513T140000Z
DTSTAMP:20260511T184500Z
UID:indico-event-18884@indico.psi.ch
CONTACT:matthias.krack@psi.ch
DESCRIPTION:Speakers: Alberto Carta (PSI)\n\nDFT+U can effectively describ
 e paramagnetic Mott insulators by artificially imposing a single magnetic 
 or orbital order. This static proxy works remarkably well\, but it obscure
 s the true many-body nature\, and it is thought to fail to capture genuine
  spectral features such as Hubbard bands.\nWe introduce the thermal dephas
 ed ensemble (TDE)\, which extends DFT+U by averaging over the landscape of
  all competing static DFT+U solutions. We show that for many realistic Mot
 t insulators\, this simple extension restores the paramagnetic symmetry an
 d produces results matching numerically exact DMFT results for NiO and FeO
 \, while retaining the computational simplicity of static mean-field calcu
 lations.\nConceptually\, TDE demonstrates that the "strong correlations" i
 n these insulators are largely a manifestation of classical configurationa
 l entropy among symmetry-broken local states\, taking a first step towards
  bridging the gap between Alex Zunger’s polymorphous\, yet static\, view
  of a material and DMFT’s dynamical picture. The approach offers a contr
 olled path to systematically include further quantum fluctuations.\nAlbert
 o Carta\,  Hugo R. Strand\, Michael Schüler and Nicola Marzari\n\nhttps:
 //indico.psi.ch/event/18884/
LOCATION:OVGA/200
URL:https://indico.psi.ch/event/18884/
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