Adaptive construction of shallower quantum circuits with quantum spin projection for fermionic systems (2205.07097v1)

Abstract: Quantum computing is a promising approach to harnessing strong correlation in molecular systems; however, current devices only allow for hybrid quantum-classical algorithms with a shallow circuit depth, such as the variational quantum eigensolver (VQE). In this study, we report the importance of the Hamiltonian symmetry in constructing VQE circuits adaptively. This treatment often violates symmetry, thereby deteriorating the convergence of fidelity to the exact solution, and ultimately resulting in deeper circuits. We demonstrate that symmetry-projection can provide a simple yet effective solution to this problem, by keeping the quantum state in the correct symmetry space, to reduce the overall gate operations. The scheme also reveals the significance of preserving symmetry in computing molecular properties, as demonstrated in our illustrative calculations.