COMPLETENESS PROFILES OF ONE-ELECTRON BASIS-SETS

Authors
CHONG DP
Citation
Dp. Chong, COMPLETENESS PROFILES OF ONE-ELECTRON BASIS-SETS, Canadian journal of chemistry, 73(1), 1995, pp. 79-83
Citations number
28
Categorie Soggetti
Chemistry
Journal title
Canadian journal of chemistry → ACNP
ISSN journal
00084042
Volume
73
Issue
1
Year of publication
1995
Pages
79 - 83
Database
ISI
SICI code
0008-4042(1995)73:1<79:CPOOB>2.0.ZU;2-8
Abstract
The completeness profile is used to provide a visual assessment of the quality of one-electron basis sets. The approach is illustrated by ex amples of a number of basis sets for the carbon atom. New insight is g ained regarding the superiority of spin density calculations using Chi pman's basis sets.