Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method

Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (8): 836.

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Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method

Tian Anmin, Liu Ruifeng, Zhou Xuefeng, Sun Zemin, Yan Guosen

Department of Chemistry, Shandong University, Jinan

Received:1988-01-07 Online:1988-08-24 Published:1988-08-24

Abstract

Abstract: One program has been developed for the variational calculation of vib-rationrotational energy levels of non-linear polyatomic molecules. The elements of the secular equation are computated by Huber's Ladder operator method. With this program the vibration-rotational spectra of Ozone and Formaldehyde have been calculated. Good agreement between the theoretical and exerimental results is obtained.

Key words: Ladder operator, vibration-rotational spectra, Ozone, Formaldehyde

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Tian Anmin, Liu Ruifeng, Zhou Xuefeng, Sun Zemin, Yan Guosen. Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method[J]. Chem. J. Chinese Universities, 1988, 9(8): 836.

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Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method

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