Boys and Bernardi: reduced-error molecular interaction energies

What changed

Small interaction energies could be calculated with explicitly balanced computational errors.

Scientific scope

The exact two-author 1970 procedures; later counterpoise variants, basis-set extrapolations and applications excluded.

Evidence

The linked sources identify this contribution and its scope. WRS has not independently reconstructed the scientific claims. 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.

Contributors

• S. F. Boys · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
• F. Bernardi · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.

• Boys and Bernardi, calculation of small molecular interactions
• Crossref record for Boys and Bernardi 1970

Provisional WRS assessment, edition 2026-10-16.1. Independent expert calibration is pending. This grade does not certify correctness or assign ownership.

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