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Excited states from ADAPT-VQE convergence path in many-body Problems: application to nuclear pairing problem and H4 molecule dissociation

Jing Zhang, Denis Lacroix·June 27, 2025·DOI: 10.1016/j.physletb.2025.139841
Physics

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Abstract

A quantum computing algorithm is proposed to obtain low-lying excited states in many-body interacting systems. The approximate eigenstates are obtained by using a quantum space diagonalization method in a subspace of states selected from the convergence path of the ADAPT-VQE (adaptive derivative-assembled pseudo-Trotter Ansatz variational quantum eigensolver) towards the ground state of the many-body problem. This method is shown to be accurate with only a small overhead in terms of quantum resources required to get the ground state. We also show that the quantum algorithm might be used to facilitate the convergence of the ADAPT-VQE method itself. Successful applications of the technique are made to like-particle pairing as well as neutron-proton pairing. Finally, the $H_4$ molecule's dissociation also illustrates the technique, demonstrating its accuracy and versatility.

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