Scalable Quantum Computation of Highly Excited Eigenstates with Spectral Transforms

We propose a natural application of Quantum Linear Systems Problem (QLSP) solvers such as the HHL algorithm to efficiently prepare highly excited interior eigenstates of physical Hamiltonians in a variational manner. This is enabled by the efficient computation of inverse expectation values, taking advantage of the QLSP solvers' exponentially better scaling in problem size without concealing exponentially costly pre/post-processing steps that usually accompanies it. We detail implementations of this scheme for both fault-tolerant and near-term quantum computers, analyse their efficiency and implementability, and discuss applications and simulation results in many-body physics and quantum chemistry that demonstrate its superior effectiveness and scalability over existing approaches.

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