Imaginary Time Spectral Transforms for Excited State Preparation

Abstract: Excited states of many-body quantum systems play a key role in a wide range of physical and chemical phenomena. Unlike ground states, for which many efficient variational techniques exist, there are few ways to systematically construct excited states of generic quantum systems on either classical or quantum hardware. To address this challenge, we introduce a general approach that allows us to obtain arbitrary eigenstates of quantum systems at a given energy. By combining the shift-invert mechanism with imaginary time evolution, we are able to avoid explicit inversion of the Hamiltonian and construct excited eigenstates of large many-body quantum systems. We demonstrate the technique classically by applying it to large disordered spin chains. Based on this approach, we propose a hybrid scheme suitable for near-future quantum hardware.