Introduces an efficient SSE QMC algorithm with global updates and parallel tempering for mixed-dimensional models and applies it to map angle-dependent correlated insulators and Wigner-Mott states in M-point twisted AA-stacked SnSe2.
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Georges , author G
17 Pith papers cite this work, alongside 6,930 external citations. Polarity classification is still indexing.
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Equilibrium quantum many-body methods are encoders from admissible states to represented variables, with exact decoders existing precisely when tasks are constant on encoder fibers.
Derives an explicit stability criterion for parquet fixed-point iterations showing convergence issues arise independently of vertex divergences and demonstrates a controlled stabilization method that reaches the physical solution across multiple divergence lines.
DMFT on the 2D Hubbard-Holstein model produces two Fermi-resonance peaks in electronic friction missed by MFT, with EF-LD simulations revealing substantial differences in electron population dynamics.
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
Tunneling spectroscopy reveals Hund-induced superdispersion in Sr2RuO4, matching DFT+DMFT predictions via non-monotonic real-part self-energy.
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.
COGITO creates accurate tight-binding models from DFT that match MLWF accuracy while keeping the orbitals chemically interpretable and projected onto atomic centers.
A strong-coupling perturbation in chemical potential and second-neighbor hopping around a sign-problem-free reference system yields accurate spectral functions for doped Hubbard models via lattice QMC.
VMC study of two-orbital Hubbard-Kanamori model finds s± superconductivity only near Mott state at half-filling with no orbital selectivity, unlike three-orbital models.
A semi-holographic model couples a fermion to a holographic composite sector, yielding poles-zeros duality in the Green's function that distinguishes metallic and Mott-insulating phases through choice of quantization.
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.
Cluster perturbation theory on the Hubbard model yields doping- and temperature-dependent electronic and spin spectra that qualitatively match cuprate experiments, with short-range antiferromagnetism implicated in pseudogap formation.
Hybrid DFT finds Ge_Al antisites abundant in LaAlGe, donor-like and likely to electron-dope the material during growth.
Using DMET to fragment molecules and SQD to solve the fragments on IBM hardware, the authors report ground-state energies for eight ligand-like molecules that agree with DMET-FCI to within about 10⁻⁶ Hartree.
citing papers explorer
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Mixed-dimensional quantum Monte Carlo studies of M-point moir\'e materials
Introduces an efficient SSE QMC algorithm with global updates and parallel tempering for mixed-dimensional models and applies it to map angle-dependent correlated insulators and Wigner-Mott states in M-point twisted AA-stacked SnSe2.
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Full-State and Reduced-Moment Encodings: A Representation-Level View of Equilibrium Quantum Many-Body Theory
Equilibrium quantum many-body methods are encoders from admissible states to represented variables, with exact decoders existing precisely when tasks are constant on encoder fibers.
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Stabilizing the parquet problem
Derives an explicit stability criterion for parquet fixed-point iterations showing convergence issues arise independently of vertex divergences and demonstrates a controlled stabilization method that reaches the physical solution across multiple divergence lines.
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A DMFT approach to evaluate electronic frictional effects near solid surfaces of strongly correlated systems
DMFT on the 2D Hubbard-Holstein model produces two Fermi-resonance peaks in electronic friction missed by MFT, with EF-LD simulations revealing substantial differences in electron population dynamics.
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Absorbing Many-Body Correlations into Core-Optimized Orbitals
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
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Revealing Hund superdispersion with tunneling spectroscopy
Tunneling spectroscopy reveals Hund-induced superdispersion in Sr2RuO4, matching DFT+DMFT predictions via non-monotonic real-part self-energy.
-
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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Crystal Orbital Guided Iteration to Atomic Orbitals: A Pathway to Chemically Adaptive Atomic Orbitals from DFT
COGITO creates accurate tight-binding models from DFT that match MLWF accuracy while keeping the orbitals chemically interpretable and projected onto atomic centers.
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Perturbative solution of fermionic sign problem in lattice Quantum Monte Carlo
A strong-coupling perturbation in chemical potential and second-neighbor hopping around a sign-problem-free reference system yields accurate spectral functions for doped Hubbard models via lattice QMC.
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Variational Monte Carlo study of a two-orbital Hubbard model for the iron pnictides
VMC study of two-orbital Hubbard-Kanamori model finds s± superconductivity only near Mott state at half-filling with no orbital selectivity, unlike three-orbital models.
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Poles-zeros duality in semi-holographic Mott insulators
A semi-holographic model couples a fermion to a holographic composite sector, yielding poles-zeros duality in the Green's function that distinguishes metallic and Mott-insulating phases through choice of quantization.
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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.
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Doping- and temperature-dependent electronic structure and spin dynamics in the Hubbard model on a square lattice within cluster perturbation theory
Cluster perturbation theory on the Hubbard model yields doping- and temperature-dependent electronic and spin spectra that qualitatively match cuprate experiments, with short-range antiferromagnetism implicated in pseudogap formation.
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Crystallographic defects in Weyl semimetal LaAlGe
Hybrid DFT finds Ge_Al antisites abundant in LaAlGe, donor-like and likely to electron-dope the material during growth.
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Quantum Simulation of Ligand-like Molecules through Sample-based Quantum Diagonalization in Density Matrix Embedding Framework
Using DMET to fragment molecules and SQD to solve the fragments on IBM hardware, the authors report ground-state energies for eight ligand-like molecules that agree with DMET-FCI to within about 10⁻⁶ Hartree.
- Static Effective Hamiltonians for Molecular Systems through RPA-based Downfolding