Near-term quantum algorithm for computing molecular and materials properties based on recursive variational series methods
arXiv:2206.09881 · doi:10.1103/PhysRevA.108.022422
Abstract
Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is: how might we use imperfect near-term quantum computers to solve problems of practical value? We propose a quantum algorithm to estimate the properties of molecules using near-term quantum devices. The method is a recursive variational series estimation method, where we expand an operator of interest in terms of Chebyshev polynomials and evaluate each term in the expansion using a variational quantum algorithm. We test our method by computing the one-particle Green's function in the energy domain and the autocorrelation function in the time domain.
arXiv comment16+10 pages, 3 figures; comments welcome
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