Multireference error mitigation for quantum computation of chemistry

Abstract

Quantum error mitigation (QEM) strategies are essential for improving the precision and reliability of quantum chemistry algorithms on noisy intermediate-scale quantum devices. Reference-state error mitigation (REM) is a cost-effective chemistry-inspired QEM method that performs exceptionally well for weakly correlated problems. However, the effectiveness of REM is often limited when applied to strongly correlated systems. Here, we introduce multireference-state error mitigation (MREM), an extension of REM that systematically captures quantum hardware noise in strongly correlated ground states by utilizing multireference states. A pivotal aspect of MREM is using Givens rotations to efficiently construct quantum circuits to generate multireference states. To strike a balance between circuit expressivity and noise sensitivity, we employ compact wavefunctions composed a few dominant Slater determinants. These truncated multireference states, engineered to exhibit substantial overlap with the target ground state, can effectively enhance error mitigation in variational quantum eigensolver experiments. We demonstrate the effectiveness of MREM through comprehensive simulations of molecular systems ${\mathrm{H}}_2\mathrm{O},{\mathrm{N}}_2,\mathrm{and}{\mathrm{F}}_2$, underscoring its ability to realize significant improvements in computational accuracy compared to the original REM method. MREM broadens the scope of error mitigation to encompass a wider variety of molecular systems, including those exhibiting pronounced electron correlation.

References in corpus (19)

• Supplementary information for "Quantum supremacy using a programmable superconducting processor"
• Surface codes: Towards practical large-scale quantum computation
• Simulated Quantum Computation of Molecular Energies
• Strong quantum computational advantage using a superconducting quantum processor
• Hybrid quantum-classical algorithms and quantum error mitigation
• Tapering off qubits to simulate fermionic Hamiltonians
• Block2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
• NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
• Preparation of matrix product states with log-depth quantum circuits
• Machine Learning for Practical Quantum Error Mitigation
• Rapid initial state preparation for the quantum simulation of strongly correlated molecules
• Combined unitary and symmetric group approach applied to low-dimensional spin systems
• Improving the accuracy of quantum computational chemistry using the transcorrelated method
• Quantum circuits for the preparation of spin eigenfunctions on quantum computers
• Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
• Multireference error mitigation for quantum computation of chemistry
• Classification of electronic structures and state preparation for quantum computation of reaction chemistry
• Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation
• Stacking the Odds: Full-Stack Quantum System Design Space Exploration

Cited by in corpus (1)

• Multireference error mitigation for quantum computation of chemistry