A POSSIBLE DEFINITION OF BASIS-SET SUPERPOSITION ERROR - REPLY

Authors
DAVIDSON ER CHAKRAVORTY SJ
Citation
Er. Davidson et Sj. Chakravorty, A POSSIBLE DEFINITION OF BASIS-SET SUPERPOSITION ERROR - REPLY, Chemical physics letters, 241(1-2), 1995, pp. 146-148
Citations number
2
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
241
Issue
1-2
Year of publication
1995
Pages
146 - 148
Database
ISI
SICI code
0009-2614(1995)241:1-2<146:APDOBS>2.0.ZU;2-F
Abstract
Contrary to the statements of Gutowski et al., the difference between the true dissociation energy and the counterpoise-corrected calculatio n of the dissociation energy is shown to be entirely a non-additive co rrection for basis set incompleteness.