2019/11/12 by Sara Pålsson, Pålsson, Sara, Anna‐Karin Tornberg +2
Chemistry · Computer Science · Mathematics · Physics and Astronomy · #Bessel function #Chemistry #Classical mechanics #Computational Engineering #Computer science #Decomposition #Ewald summation #FOS: Computer and information sciences #FOS: Mathematics #Finance #Mathematical analysis #Mathematics #Molecular dynamics #Numerical Analysis (math.NA) #Physics #Quantum Mechanics and Non-Hermitian Physics #Quantum and Classical Electrodynamics #Quantum chaos and dynamical systems #Quantum mechanics #Space (punctuation) #Yukawa potential #and Science (cs.CE) #cs.CE #cs.NA #math.NA
paper · pdf · doi:10.48550/arxiv.1911.04875
published in arXiv (Cornell University) (Cornell University)
arxiv created 2019/11/12 · openalex publication_date 2019/11/12 · arxiv updated 2019/11/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
An Ewald decomposition of the two-dimensional Yukawa potential and its derivative is presented for both the periodic and the free-space case. These modified Bessel functions of the second kind of zeroth and first degrees are used e.g. when solving the modified Helmholtz equation using a boundary integral method. The spectral Ewald method is used to compute arising sums at O(N log N) cost for N source and target points. To facilitate parameter selection, truncation-error estimates are developed for both the real-space sum and the Fourier-space sum, and are shown to estimate the errors well.