AL-ATCI uses active learning to identify the relevant determinant manifold in configuration-interaction impurity solvers, achieving weak scaling with bath size and reproducing exact-diagonalization accuracy for Hubbard model clusters up to size 10 and Sr2RuO4 impurities.
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Indirect 5d-mediated exchange dominates in CsCeSe2, superexchange dominates in RbCeO2, and both contribute equally in KCeS2, with calculated spin Hamiltonians yielding magnetic excitation spectra in good agreement with experiment.
Hole doping at x ≈ 0.4 in La3-xSrxNi2O7 produces nearly perfect Fermi-surface nesting at Q = (π, π), raising the superconducting eigenvalue to experimentally accessible levels at ambient pressure.
Explicit approximations for the charge density of inhomogeneous materials are constructed as functionals of the Kohn-Sham potential using the Lindhard response of the homogeneous electron gas, with accuracy improving on cubic helium as the level of approximation increases.
In the topological heavy fermion model, the Mott semimetal phase hosts well-defined quasiparticles with dispersion and relaxation rate proportional to the interaction strength.
Presents a multichannel active-space embedding framework coupling atomic multiplets to plane-wave photoelectrons in DFT/PAW for computing core-level spectra via time-domain autocorrelation, validated quantitatively on Ce N4,5 edges.
A new fusion of adiabatic preconditioning and the Rodeo Algorithm, built hierarchically from solvable subsystems, enables robust exponential convergence for eigenstate preparation in the spin-1/2 XX model at high precision.
citing papers explorer
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A Scalable Configuration-Interaction Impurity Solver via Active Learning
AL-ATCI uses active learning to identify the relevant determinant manifold in configuration-interaction impurity solvers, achieving weak scaling with bath size and reproducing exact-diagonalization accuracy for Hubbard model clusters up to size 10 and Sr2RuO4 impurities.
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5d-mediated indirect exchange and effective spin Hamiltonians in Ce triangular-lattice delafossites
Indirect 5d-mediated exchange dominates in CsCeSe2, superexchange dominates in RbCeO2, and both contribute equally in KCeS2, with calculated spin Hamiltonians yielding magnetic excitation spectra in good agreement with experiment.
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Nearly perfect Fermi surface nesting in hole-doped La$_3$Ni$_2$O$_7$ enables bulk superconductivity without pressure or strain
Hole doping at x ≈ 0.4 in La3-xSrxNi2O7 produces nearly perfect Fermi-surface nesting at Q = (π, π), raising the superconducting eigenvalue to experimentally accessible levels at ambient pressure.
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Designing explicit functionals for the charge density in terms of a potential
Explicit approximations for the charge density of inhomogeneous materials are constructed as functionals of the Kohn-Sham potential using the Lindhard response of the homogeneous electron gas, with accuracy improving on cubic helium as the level of approximation increases.
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Lifetime and spectral function of topological heavy fermions
In the topological heavy fermion model, the Mott semimetal phase hosts well-defined quasiparticles with dispersion and relaxation rate proportional to the interaction strength.
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Multichannel active-space embedding of atomic multiplets in plane-wave DFT/PAW for core-level spectroscopies
Presents a multichannel active-space embedding framework coupling atomic multiplets to plane-wave photoelectrons in DFT/PAW for computing core-level spectra via time-domain autocorrelation, validated quantitatively on Ce N4,5 edges.
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Hierarchical Fusion Method for Scalable Quantum Eigenstate Preparation
A new fusion of adiabatic preconditioning and the Rodeo Algorithm, built hierarchically from solvable subsystems, enables robust exponential convergence for eigenstate preparation in the spin-1/2 XX model at high precision.