OPTIMAL PARTITION OF THE COULOMB OPERATOR

Authors
LEE AM TAYLOR SW DOMBROSKI JP GILL PMW
Citation
Am. Lee et al., OPTIMAL PARTITION OF THE COULOMB OPERATOR, Physical review. A, 55(4), 1997, pp. 3233-3235
Citations number
12
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
55
Issue
4
Year of publication
1997
Pages
3233 - 3235
Database
ISI
SICI code
1050-2947(1997)55:4<3233:OPOTCO>2.0.ZU;2-3
Abstract
We set up and solve the problem of optimally partitioning the Coulomb operator 1/r into a sum of two functions f(1)(r) and f(2)(r) such that both f(1) and the Fourier transform of f(2) decay as quickly as possi ble. The rigorous solution involves a Hermite function, but we find th at the conventional Ewald-KWIK partition appears to be only slightly i nferior.