Neutron-proton pairing correlations described on quantum computers

Abstract

The ADAPT-VQE approach is used to solve the neutron-proton pairing problem in atomic nuclei. This variational approach is considered today as one of the most powerful methods to iteratively find the ground state of a many-body problem, provided a performing set of operators, called the pool of operators, is used to explore the Hilbert space of many-body wave-functions. Three different pools of operators, which might eventually break one or several symmetries of the Hamiltonian during the descent to the ground state, are tested for the neutron-proton pairing problem. We observe that the breaking of some symmetries during the optimization of the trial wave-function might, in general, help to speed up the convergence towards the ground state. Still, we rejected the pool of operators that might explicitly break the total particle number because they become uncontrollable during the optimization process. Overall, we observed that the iterative optimization process rapidly becomes a delicate problem when the number of parameters to build the ansatz increases, and the energy might get stuck at energies higher than the ground state energy. To improve the convergence in this case, several techniques have been proposed, with some better controlling the symmetries during the energy minimization. Among the proposed methods, two have proven effective: one based on an embedding technique and the other on a randomized preparation of the initial state. We conclude that the ADAPT-VQE, complemented by these techniques, can provide a very accurate description of the neutron-proton pairing problem, and can outperform other standardly used techniques that break the particle number symmetry and restore afterwards.