What is recorded here?
Presented direct-difference procedures for computing small-molecule interaction energies with balanced errors, the work associated with the Boys–Bernardi counterpoise approach to basis-set superposition error.
Source-linked catalogue note. A detailed explanatory guide has not yet been prepared for this entry.
Scientific scope
The record is the exact two-author 1970 paper and its stated reduced-error procedures. Earlier molecular-orbital theory, later counterpoise variants, basis-set extrapolation and every quantum-chemistry application remain separate.
Read the original work
- Boys and Bernardi, calculation of small molecular interactions
- Crossref record for Boys and Bernardi 1970
This English explanation is an editorial reading view. It does not replace the complete original work or certify its science.
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People and systems
S. F. Boys; F. Bernardi
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.
Research locations and affiliations
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Documented countries / regions: United Kingdom
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English catalogue narrative
Boys and Bernardi: reduced-error molecular interaction energies
Presented direct-difference procedures for computing small-molecule interaction energies with balanced errors, the work associated with the Boys–Bernardi counterpoise approach to basis-set superposition error.
Scientific scope
The record is the exact two-author 1970 paper and its stated reduced-error procedures. Earlier molecular-orbital theory, later counterpoise variants, basis-set extrapolation and every quantum-chemistry application remain separate.
Reading status
This is a source-linked WRS catalogue note. A full explanatory guide and independent scientific reconstruction have not been completed for this entry. Read the identified original work for its complete narrative and arguments.
People and systems
S. F. Boys; F. Bernardi
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.