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In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver(VQE) is a promising method to study ground state properties in quantumchemistry, materials science, and condensed physics. However, general quantumeigensolvers are lack of systematical improvability, and achieve rigorousconvergence is generally hard in practice, especially in solvingstrong-correlated systems. Here, we propose an Orbital Expansion VQE~(OE-VQE)framework to construct an efficient convergence path. The path starts from ahighly correlated compact active space and rapidly expands and converges to theground state, enabling simulating ground states with much shallower quantumcircuits. We benchmark the OE-VQE on a series of typical molecules includingH$_{6}$-chain, H$_{10}$-ring and N$_2$, and the simulation results show thatproposed convergence paths dramatically enhance the performance of generalquantum eigensolvers.

Orbital Expansion Variational Quantum Eigensolver: Enabling Efficient Simulation of Molecules with Shallow Quantum Circuit