Variational determination of arbitrarily many eigenpairs in one quantum circuit

Abstract: The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the potential of applications on various subjects. One example is the variational quantum eigensolver (VQE) that was first introduced for computing ground states. Although VQE has now been extended to the study of excited states, the algorithms previously proposed involve a recursive optimization scheme which requires many extra operations with significantly deeper quantum circuits to ensure the orthogonality of different trial states. Here we propose a new algorithm to determine many low energy eigenstates simultaneously. By introducing ancillary qubits to purify the trial states so that they keep orthogonal to each other throughout the whole optimization process, our algorithm allows these states to be efficiently computed in one quantum circuit. Our algorithm reduces significantly the complexity of circuits and the readout errors, and enables flexible post-processing on the eigen-subspace from which the eigenpairs can be accurately determined. We demonstrate this algorithm by applying it to the transverse Ising model. By comparing the results obtained using this variational algorithm with the exact ones, we find that the eigenvalues of the Hamiltonian converge quickly with the increase of the circuit depth. The accuracies of the converged eigenvalues are of the same order, which implies that the difference between any two eigenvalues can be more accurately determined than the eigenvalues themselves.