IUPAC > Gold Book > alphabetical index > E > energy hypersurface (synonymous with potential energy surface, PES)
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energy hypersurface (synonymous with potential energy surface, PES)

The notion of hypersurface is used to stress the multidimensionality of PESs. In a molecular system consisting of N atomic nuclei, the number of the independent coordinates that fully determine the PES is equal to 3 N − 6 (or 3 N − 5 if the system is linear).
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1938
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.ET07029.
Original PDF version: http://www.iupac.org/goldbook/ET07029.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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