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Second Order Determination of the Vibrational Potential of CO2 Using Effective Normal Coordinates

✍ Scribed by L.M. Salah; G. Amat; L.S. Balloomal

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 743 KB
Volume: 157
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1993.1002

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✦ Synopsis

An inverse perturbation calculation using effective normal coordinates is performed, up to second order, to determine the vibrational potential of ({ }^{12} \mathrm{C}^{16} \mathrm{O}_{2}) from experimental energy levels. Such a potential should be closer to the true potential than if the standard perturbation method is used. A comparison is made with other methods and the convergence of perturbation computations is discussed. 1993 Academic Press. Inc.

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