The variational quantum eigensolver (VQE) is the current algorithm of choice for simulation of chemical systems on noisy intermediate-scale quantum devices. While many VQE approaches specify a wavefunction ansatz prior to computation, ADAPT-VQE systematically grows the ansatz by selecting operators one at a time from an operator pool. This adaptive method leads to ansatze with a low parameter count, which translates to shallower circuits needed to initialize the state on the quantum device. In this work, we investigate ADAPT-VQE applied to model systems with a tunable degree of electron-electron correlation with both local and non-local representations of the Hamiltonian and different operator pools. We also provide results for classical algorithms as a means of comparison.

Treating scalably correlated Hamiltonians with the ADAPT variational quantum eigensolver

ACS Fall 2021

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