FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

Revision of FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

Article history: Received 30 April 2009 Received in revised form 25 June 2009 Accepted 29 June 2009 Available online 2 July 2009 PACS: 02.30.Em 02.30.Rz 02.60.Dc 24.10.Cn

RECFMM: Recursive Parallelization of the Adaptive Fast Multipole Method for Coulomb and Screened Coulomb Interactions

We present RECFMM, a program representation and implementation of a recursive scheme for parallelizing the adaptive fast multipole method (FMM) on sharedmemory computers. It achieves remarkable high performance while maintaining mathematical clarity and flexibility. The parallelization scheme signifies the recursion feature that is intrinsic to the FMM but was not well exploited. The program mo...

A Cartesian treecode for screened coulomb interactions

A treecode algorithm is presented for evaluating electrostatic potentials in a charged particle system undergoing screened Coulomb interactions in 3D. The method uses a farfield Taylor expansion in Cartesian coordinates to compute particle–cluster interactions. The Taylor coefficients are evaluated using new recurrence relations which permit efficient computation of high order approximations. T...

Ferroelectric instability under screened Coulomb interactions.

We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO(3), we demonstrate that ferroelectric displacements are sustained up to the critical concentration of 0.11 electron per unit cell volume. This result is consistent with experimental observations and re...