A quantum algorithm estimates the static structure factor via Bloch-basis density operator block encoding and amplified Hadamard test, plus adaptive binary search for the infrared fitting window, to mitigate finite-size errors with ilde{O}(N_b N_k)^3 cost and ilde{O}(N_b N_k) qubits.
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Bloch-UPAW integrates Bloch orbitals and local UPAW corrections to enable lower-resource fault-tolerant quantum simulations of solids, showing roughly 10x Toffoli reduction for bulk diamond.
Introduces ghost Gutzwiller quantum embedding for ground-state and spectral simulations of correlated electrons on quantum devices, tested on the infinite-dimensional Hubbard model with error mitigation.
citing papers explorer
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Fault tolerant computation of the static structure factor and finite size effects
A quantum algorithm estimates the static structure factor via Bloch-basis density operator block encoding and amplified Hadamard test, plus adaptive binary search for the infrared fitting window, to mitigate finite-size errors with ilde{O}(N_b N_k)^3 cost and ilde{O}(N_b N_k) qubits.
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Fault-tolerant simulation of the electronic structure using Projector Augmented-Waves and Bloch orbitals
Bloch-UPAW integrates Bloch orbitals and local UPAW corrections to enable lower-resource fault-tolerant quantum simulations of solids, showing roughly 10x Toffoli reduction for bulk diamond.
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Quantum-Classical Embedding via Ghost Gutzwiller Approximation for Enhanced Simulations of Correlated Electron Systems
Introduces ghost Gutzwiller quantum embedding for ground-state and spectral simulations of correlated electrons on quantum devices, tested on the infinite-dimensional Hubbard model with error mitigation.