Low-order hybridization expansions fail in multi-orbital systems because the least correlated orbital suppresses correlation features across all orbitals through spurious couplings generated by the truncation.
Gull , author A
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i-DFT computes spectral and transmission properties of correlated quantum dots from Coulomb blockade to Kondo regimes, matching many-body results at reduced cost.
DFT+DMFT calculations on americium show partial 5f delocalization under pressure with valence mixing and link high-pressure phase stability to symmetry-lowering Peierls distortions.
Adapted TEBD in star geometry is the most efficient MPS method for real-time evolution of Anderson impurity models among the tested combinations.
citing papers explorer
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Validity and Limits of Low Order Hybridization Expansion Approaches for Multi-Orbital Systems
Low-order hybridization expansions fail in multi-orbital systems because the least correlated orbital suppresses correlation features across all orbitals through spurious couplings generated by the truncation.
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Spectral and transmission properties of multiple correlated quantum dots made simple
i-DFT computes spectral and transmission properties of correlated quantum dots from Coulomb blockade to Kondo regimes, matching many-body results at reduced cost.
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Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations
DFT+DMFT calculations on americium show partial 5f delocalization under pressure with valence mixing and link high-pressure phase stability to symmetry-lowering Peierls distortions.
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Comparison of MPS based real time evolution algorithms for Anderson Impurity Models
Adapted TEBD in star geometry is the most efficient MPS method for real-time evolution of Anderson impurity models among the tested combinations.