CHEMISTRY WITHOUT COULOMB TAILS

Authors
ADAMSON RD DOMBROSKI JP GILL PMW
Citation
Rd. Adamson et al., CHEMISTRY WITHOUT COULOMB TAILS, Chemical physics letters, 254(5-6), 1996, pp. 329-336
Citations number
14
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
254
Issue
5-6
Year of publication
1996
Pages
329 - 336
Database
ISI
SICI code
0009-2614(1996)254:5-6<329:CWCT>2.0.ZU;2-M
Abstract
The theoretical model chemistry that results from a molecular Schrodin ger equation in which the Coulomb terms are strongly attenuated is inv estigated for a range of molecules. Little deterioration is found and we propose that this represents a very natural approach to achieving l inear cost scaling in quantum chemical calculations.