Abstract
Angular averaging of Ewald sums eliminating the nonphysical cubic symmetry of electrostatic field in the uniform ionic system under conditions of computer simulation with periodic boundaries is proposed. The resulting effective potential is central, has simple analytical form and its range is correspondent to the main box size. The approach provides a fast method for computation of electrostatic contribution to the energy of ionic fluids and other dense, uniform Coulomb systems in Monte Carlo or molecular dynamics computer simulation.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.