Symmetry breaking in Kohn-Sham DFT reduces the Fermi-level density of states in strongly correlated metals, and the new parameter Gamma identifies strong correlation using only the KS one-electron density of states.
and Henderson, Thomas M
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Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
SZ-LCT uses a BCH-expanded unitary transformation with a generator chosen to minimize non-seniority-zero Hamiltonian elements, achieving submilliHartree accuracy for strongly correlated electrons at O(N^8/n_c) scaling.
citing papers explorer
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Identifying strong correlation using only the Kohn-Sham density of one-electron states
Symmetry breaking in Kohn-Sham DFT reduces the Fermi-level density of states in strongly correlated metals, and the new parameter Gamma identifies strong correlation using only the KS one-electron density of states.
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Static Effective Hamiltonians for Molecular Systems through RPA-based downfolding
Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
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Seniority-zero Linear Canonical Transformation Theory
SZ-LCT uses a BCH-expanded unitary transformation with a generator chosen to minimize non-seniority-zero Hamiltonian elements, achieving submilliHartree accuracy for strongly correlated electrons at O(N^8/n_c) scaling.