A GENERALIZED FAST MULTIPOLE APPROACH FOR HARTREE-FOCK AND DENSITY-FUNCTIONAL COMPUTATIONS - REPLY

Citation
R. Kutteh et al., A GENERALIZED FAST MULTIPOLE APPROACH FOR HARTREE-FOCK AND DENSITY-FUNCTIONAL COMPUTATIONS - REPLY, Chemical physics letters, 248(5-6), 1996, pp. 484-485
Citations number
8
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
248
Issue
5-6
Year of publication
1996
Pages
484 - 485
Database
ISI
SICI code
0009-2614(1996)248:5-6<484:AGFMAF>2.0.ZU;2-K
Abstract
We point out the algorithmic differences between our generalized fast multipole approach (KAN) and the approach of White et al. (CFMM), for computing the Coulomb term in Hartree-Fock and density functional theo ry calculations. Our Reply provides a more balanced comparison between KAN and CFMM than that given by White et al. in the preceding Comment .