Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models

• URL: http://arxiv.org/abs/2203.06745v3
• Date: Thu, 27 Oct 2022 20:36:15 GMT
• Title: Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models
• Authors: Anirban Mukherjee, Noah F. Berthusen, Jo\~ao C. Getelina, Peter P. Orth, and Yong-Xin Yao
• Abstract summary: We compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models. We show that state preparation with fidelities better than $99.9%$ can be achieved using about $214$ shots per measurement circuit.
• Score: 0.31317409221921144
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of $d$ and $f$ electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than $99.9\%$ can be achieved using about $2^{14}$ shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below $10^{-3}$, which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of $0.7\%$.

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