QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.
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Electronic excitations in SrCu2(BO3)2 include d-d transitions at 1.8-2.4 eV and charge-transfer onsets at 1.2-1.6 eV, matching quantum chemistry and DFT+U calculations.
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Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.
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Electronic excitations in the Shastry-Sutherland compound SrCu$_2$(BO$_3$)$_2$
Electronic excitations in SrCu2(BO3)2 include d-d transitions at 1.8-2.4 eV and charge-transfer onsets at 1.2-1.6 eV, matching quantum chemistry and DFT+U calculations.