Inversion of polyatomic rovibration spectra into a molecular potential energy surface: Application to CO2

R. M. Roth, Mark A Ratner, R. B. Gerber

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The experimental vibrational energies for the stretching modes of the CO2 molecule are used, with a recently developed method for generalizing the Rydberg-Klein-Rees inversion technique to polyatomics, to obtain a two-dimensional potential surface for nonbending CO2. The resulting surface appears quite accurate; this demonstrates the ability of the method to obtain actual polyatomic potential surfaces and constitutes the first successful determination of a polyatomic potential surface by inversion of spectra.

Original languageEnglish
Pages (from-to)1288-1291
Number of pages4
JournalPhysical Review Letters
Issue number15
Publication statusPublished - 1984


ASJC Scopus subject areas

  • Physics and Astronomy(all)

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