A set of routines for efficient and accurate computation of lattice sums of \(1/r^ n\)-potentials

DOI10.1016/0010-4655(91)90027-IzbMath0875.65038MaRDI QIDQ1366122

Michael Monkenbusch

Publication date: 11 November 1997

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

incomplete gamma functionFourier transformsconvergence accelerationlattice sumsmolecular crystals

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Computation of special functions and constants, construction of tables (65D20) Fourier and Fourier-Stieltjes transforms and other transforms of Fourier type (42A38) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Numerical methods for trigonometric approximation and interpolation (65T40) Numerical summation of series (65B10) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Cites Work

• On the calculation of lattice sums

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