Fast and Accurate Evaluation of Nonlocal Coulomb and Dipole-Dipole Interactions via the Nonuniform FFT
Fast and Accurate Evaluation of Nonlocal Coulomb and Dipole-Dipole Interactions via the Nonuniform FFT
We present a fast and accurate algorithm for the evaluation of nonlocal (long-range) Coulomb and dipole-dipole interactions in free space. The governing potential is simply the convolution of an interaction kernel $U(\mathbf{x})$ and a density function $\rho(\mathbf{x})=|\psi(\mathbf{x})|^2$ for some complex-valued wave function $\psi(\mathbf{x})$, permitting the formal use of Fourier methods. …