Quantum circuit for high order perturbation theory corrections

Abstract

Abstract Perturbation theory (PT) might be one of the most powerful and fruitful tools for both physicists and chemists, which has led to a wide variety of applications. Over the past decades, advances in quantum computing provide opportunities for alternatives to classical methods. Recently, a general quantum circuit estimating the low order PT corrections has been proposed. In this article, we revisit the quantum circuits for PT calculations, and develop the methods for higher order PT corrections of eigenenergy, especially the 3rd and 4th order corrections. We present the feasible quantum circuit to estimate each term in these PT corrections. There are two the fundamental operations in the proposed circuit. One approximates the perturbation terms, the other approximates the inverse of unperturbed energy difference. The proposed method can be generalized to higher order PT corrections.