New paper - Discrete-to-Continuum Limits of Long-Range Electrical Interactions in Nanostructures
Authors - Prashant K. Jha, Timothy Breitzman, and Kaushik Dayal
Journal - Archive for Rational Mechanics and Analysis
Abstract
long-range interactions
Linear scaling solution of the all-electron Coulomb problem in solids
In this manuscript (available at http://arxiv.org/abs/1004.1765), we present a systematically improvable, linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. In an infinite crystal, the electrostatic (Coulomb) potential is a sum of nuclear and electronic contributions, and each of these terms diverges and the sum is only conditionally convergent due to the long-range 1/r nature of the Coulomb interaction.