Optimizing VQE Ansatz for Studying Tight-Binding Models with sd-Interaction and On-Site Coulomb Repulsion

2025/10/09 by O. G. Udalov, Udalov, Oleg
Computer Science · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical and Physical Properties of Materials #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)

paper · pdf · doi:10.48550/arxiv.2510.08864

openalex publication_date 2025/10/09 · openalex created_date 2025/10/14 · openalex updated_date 2026/07/28

Abstract

The VQE algorithm is applied to the problem of finding the ground state of a lattice model with on-site Coulomb repulsion, nearest-neighbor hopping, and on-site sd-interaction. We compare the performance of several ansatze, including cluster and generic forms. Several modifications of the standard cluster ansatz implementation are proposed, which significantly reduce the number of two-qubit gates. Different classical optimizers are employed within the VQE algorithm. The performance of the algorithms is evaluated using both noiseless and noisy simulations.

Citations

• Simulating the Fermi-Hubbard model with long-range hopping on a quantum computer
• Variational quantum algorithms
• Strategies for quantum computing molecular energies using the unitary\n coupled cluster ansatz

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