Establishes bound relations between electronic properties in magnetic crystals, including a new lower bound on susceptibility for Chern insulators and generalization of Chern bounds to three dimensions.
Maximally localized generalized wannier functions for composite energy bands.Physical Review B, 56:12847–12865, Nov 1997
6 Pith papers cite this work. Polarity classification is still indexing.
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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.
Twisted 1T-ZrS₂ and 1T-SnSe₂ host isolated topological moiré valence bands with quantum spin Hall and high spin Chern states that arise from inter-branch and inter-orbital coupling under approximate spin-U(1) symmetry.
Optimization of mode spread in multimode fibers yields self-organized concentric ring patterns that become irregular at high mode counts, analogous to maximally localized Wannier functions.
COGITO creates accurate tight-binding models from DFT that match MLWF accuracy while keeping the orbitals chemically interpretable and projected onto atomic centers.
Strong trigonal crystal field plus subdominant hoppings in MnV2O4 stabilize canted two-in/two-out magnetism intertwined with dipole-quadrupole orbital order.
citing papers explorer
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Electronic bounds in magnetic crystals
Establishes bound relations between electronic properties in magnetic crystals, including a new lower bound on susceptibility for Chern insulators and generalization of Chern bounds to three dimensions.
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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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Engineering topological flat bands in $\Gamma$-valley moir\'e systems with Ising-type SOC: twisted 1T-ZrS$_2$ and 1T-SnSe$_2$
Twisted 1T-ZrS₂ and 1T-SnSe₂ host isolated topological moiré valence bands with quantum spin Hall and high spin Chern states that arise from inter-branch and inter-orbital coupling under approximate spin-U(1) symmetry.
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Maximally localized modes of a multimode fiber
Optimization of mode spread in multimode fibers yields self-organized concentric ring patterns that become irregular at high mode counts, analogous to maximally localized Wannier functions.
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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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Spin-orbital exchange as a route to intertwined dipole-quadrupole orbital order in MnV$_2$O$_4$ under strong trigonal crystal field
Strong trigonal crystal field plus subdominant hoppings in MnV2O4 stabilize canted two-in/two-out magnetism intertwined with dipole-quadrupole orbital order.