2023
DOI: 10.48550/arxiv.2303.00756
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A single-band model with enhanced pairing from DMRG-based downfolding of the three-band Hubbard model

Abstract: Typical Wannier-function downfolding starts with a mean-field or density functional set of bands to construct the Wannier functions. Here we carry out a controlled approach, using DMRGcomputed natural orbital bands, to downfold the three-band Hubbard model to an effective single band model. A sharp drop-off in the natural orbital occupancy at the edge of the first band provides a clear justification for a single-band model. Constructing Wannier functions from the first band, we compute all possible two-particl… Show more

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Cited by 2 publications
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“…Many other properties of the oneband Hubbard model remain to be determined and understood. Other terms [58,59] and effects not present in the Hubbard model may still play important quantitative roles. Nevertheless, it appears that qualitatively, the t-t -U Hubbard model has "the right stuff".…”
Section: Discussionmentioning
confidence: 99%
“…Many other properties of the oneband Hubbard model remain to be determined and understood. Other terms [58,59] and effects not present in the Hubbard model may still play important quantitative roles. Nevertheless, it appears that qualitatively, the t-t -U Hubbard model has "the right stuff".…”
Section: Discussionmentioning
confidence: 99%