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Quantum Simulation Quantum Chemistry

Global fermionic mode optimization via swap gates

arXiv
Authors: Gero Friesecke, Miklós Antal Werner, Kornél Kapás, Andor Menczer, Örs Legeza

Year

2024

Paper ID

66874

Status

Preprint

Abstract Read

~2 min

Abstract Words

101

Citations

N/A

Abstract

We propose a general approach to find an optimal representation of a quantum many body wave function for a given error margin via global fermionic mode optimization. The stationary point on a fixed rank matrix product state manifold is obtained via a joint optimization on the Grassman manifold [Phys. Rev. Lett. 117, 210402] together with swap gates controlled permutations. The minimization of the global quantity, the block entropy area, guarantees that the method fulfills all criteria with respect to partial derivatives. Numerical results via large scale density matrix renormalization group simulations on strongly correlated molecular systems and two-dimensional fermionic lattice models are discussed.

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  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
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  • We propose a general approach to find an optimal representation of a quantum many body wave function for a given error margin via global fermionic mode optimization.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2406.03449 [2] arXiv https://arxiv.org/abs/2406.03449 [3] Publisher https://arxiv.org/abs/2406.03449

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