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DTSTART;TZID=Europe/Paris:20231204T110000
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DTSTAMP:20260422T002359
CREATED:20231104T060231Z
LAST-MODIFIED:20231204T074808Z
UID:9413-1701687600-1701693000@fermi.univ-tlse3.fr
SUMMARY:Embedding with auxiliary particles for strongly correlated materials. - (Carlos Mejuto Zaera / LPT / Seminar). - 4/12/2023\, 11 H.
DESCRIPTION:Carlos Mejuto Zaera (SISSA\, Trieste) \nSeminar LPT\, 4/12/2023\, 11H\, 3R1\, seminar room\, 3rd floor \nSummary : \nStrong correlation in solids and molecules gives rise to a wide palette of states with highly tuneable electronic properties\, ranging from Mott insulators and unconventional superconductors all the way to efficient and selective catalytic centres. Such systems share a common underlying motif : their unique phases emerge from the competition between different energy scales. Describing such competition can be achieved within an embedding framework\, which entails identifying a small fragment of the system\, modelled explicitly\, while all the rest is substituted by some auxiliary\, often frequency-dependent potential. Still\, most embedding approaches suffer either from a limited access to observables or high computational cost. In this talk\, I will discuss the type of information that an embedding analysis can provide for complex lattice and molecular systems. Moreover\, I will present a powerful embedding framework recently introduced\, which enhances the Gutzwiller Ansatz with auxiliary states. Dynamical correlators within this method are described in terms of an effective non-interacting\, quasiparticle Hamiltonian\, subject to a self-consistency condition formulated in terms of the one-particle reduced density matrix. Despite this comparatively simple\, frequency-independent construction\, I will show that this approach can generate qualitatively correct expectation values and spectral functions in multi-orbital models. This technique alleviates the flexibility vs cost trade-off\, and is hence attractive for future applications in correlated solids and molecules\, particularly when the coupling between fragment and environment plays a decisive role.
URL:https://fermi.univ-tlse3.fr/event/tba-carlos-mejuto-zaera-lpt-seminar-4-12-2023-11-h/
LOCATION:salle de séminaire 3ème étage\, Bâtiment 3r1 Université Toulouse III\, Toulouse\, 31400\, France
CATEGORIES:Events,LPT,Seminars
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