Article Dans Une Revue SciPost Physics Année : 2023

Toward Density Functional Theory on Quantum Computers ?

Résumé

Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with the wavefunction formalism. It is yet limited to small systems, as their size is limited by the number of qubits available. Computations on large systems rely mainly on meanfield-type approaches such as density functional theory, for which no quantum advantage has been envisioned so far. In this work, we question this a priori by proposing a counterintuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage. Contents

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hal-03796377 , version 1 (04-10-2022)

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Bruno Senjean, Saad Yalouz, Matthieu Saubanère. Toward Density Functional Theory on Quantum Computers ?. SciPost Physics, 2023, 14 (3), pp.055. ⟨10.21468/SciPostPhys.14.3.055⟩. ⟨hal-03796377⟩
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