An optimized Ewald method for long-ranged potentials

DOI10.1006/jcph.1994.1205zbMath0843.65086OpenAlexW2020870916MaRDI QIDQ1339942

G. Rajagopal, Richard J. Needs

Publication date: 15 August 1996

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1994.1205

zbMATH Keywords

Fourier expansionperiodic boundary conditionsFourier coefficientsEwald methodcubic lattice systemslong-ranged interactionssolid state potential

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Applications to the sciences (65Z05)

Related Items

Ewald summation techniques in perspective: A survey, Fast multipole methods for particle dynamics