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Does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?

✍ Scribed by M. Gutowski; F.B. Van Duijneveldt; G. Chałasiński; L. Piela

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 368 KB
Volume: 129
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80221-4

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✦ Synopsis

The validrty of the criterion used by Collins and Gallup to establish whether the counterpotse correction overestimates the basis set superpositton error 1s called mto question. Results supporting the original Boys and Bemardi function counterpoise method are presented.

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Reply to “does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?”

✍ J.R. Collins; G.A. Gallup 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 131 KB

Gutowski, van Duijneveldt, Chafasinski, and Piela have criticized our analysis of the function counterpoise correction and our conclusion that the correction using the full basis for monomer calculations overcorrects for basis set superposition error. An analysis of their argument shows, however, th