Quantum phase estimation based filtering: performance analysis and application to low-energy spectral calculation

Abstract: Filtering is an important technique in quantum computing used for isolating or enhancing some specific states of quantum many-body systems. In this paper, we analyze the performance of filters based on the quantum phase estimation (QPE) algorithm, in which filtering removes states associated with bitstrings in the ancilla register above a given threshold. We show that when the conventional rectangular window function is used for the QPE input state, the resulting filter function exhibits an oscillating behavior known as the Gibbs phenomenon. We also show that in the case of the sine and Kaiser windows, this phenomenon is suppressed. Furthermore, we perform numerical simulations to compare the number of necessary queries to the Hamiltonian time evolution operation of for the QPE-based filtering algorithm and the quantum eigenvalue transformation of unitary matrices with real polynomials (QETU). We find that the number of queries required for Kaiser window-based filtering is comparable to that for QETU with optimized phase angles. As an application of the QPE-based filter, we also study a two-step algorithm for low-energy spectral simulations, composed of a coarse grid for filtering and a fine grid for obtaining final high-resolution spectra. As a benchmark of the proposed scheme for realistic continuous spectra, we present the density-of-states (DOS) calculation of antiferromagnetic type-II MnO in a one-particle approximation.