Related papers: Toward Density Functional Theory on Quantum Computers?

Toward Density Functional Theory on Quantum Computers?

URL: http://arxiv.org/abs/2204.01443v5
Date: Fri, 18 Nov 2022 17:56:17 GMT
Title: Toward Density Functional Theory on Quantum Computers?
Authors: Bruno Senjean, Saad Yalouz and Matthieu Sauban\`ere
Abstract summary: Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers. We propose a counter-intuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage.
Score: 0.0
License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Abstract: Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schr\"odinger 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 mean-field-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 counter-intuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage.

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