2024/04/21 by Shi Jin, Nana Liu, Jin, Shi +3 · 5 citations
Chemistry · Physics and Astronomy · #FOS: Mathematics #FOS: Physical sciences #Molecular spectroscopy and chirality #Numerical Analysis (math.NA) #Quantum Mechanics and Applications #Quantum Physics (quant-ph) #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.2404.13585
openalex publication_date 2024/04/21 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
This paper studies a quantum simulation technique for solving the Fokker-Planck equation. Traditional semi-discretization methods often fail to preserve the underlying Hamiltonian dynamics and may even modify the Hamiltonian structure, particularly when incorporating boundary conditions. We address this challenge by employing the Schrodingerization method-it converts any linear partial and ordinary differential equation with non-Hermitian dynamics into systems of Schrodinger-type equations. We explore the application in two distinct forms of the Fokker-Planck equation. For the conservation form, we show that the semi-discretization-based Schrodingerization is preferable, especially when dealing with non-periodic boundary conditions. Additionally, we analyze the Schrodingerization approach for unstable systems that possess positive eigenvalues in the real part of the coefficient matrix or differential operator. Our analysis reveals that the direct use of Schrodingerization has the same effect as a stabilization procedure. For the heat equation form, we propose a quantum simulation procedure based on the time-splitting technique. We discuss the relationship between operator splitting in the Schrodingerization method and its application directly to the original problem, illustrating how the Schrodingerization method accurately reproduces the time-splitting solutions at each step. Furthermore, we explore finite difference discretizations of the heat equation form using shift operators. Utilizing Fourier bases, we diagonalize the shift operators, enabling efficient simulation in the frequency space. Providing additional guidance on implementing the diagonal unitary operators, we conduct a comparative analysis between diagonalizations in the Bell and the Fourier bases, and show that the former generally exhibits greater efficiency than the latter.