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Citation: Fang Jian-Yun. Rovibrationally Excited States of Diatomic Molecules[J]. Acta Physico-Chimica Sinica, ;1992, 8(05): 625-629. doi: 10.3866/PKU.WHXB19920510 shu

Rovibrationally Excited States of Diatomic Molecules

Fang Jian-Yun

1.
Institute of Theoretical Chemistry, Jilin University, Changchun 130023

Received Date: 26 March 1991
Available Online: 15 October 1992

The present paper developes a simple method for calculating the rovibrationally excited states of diatomic molecules. In principle, the results can retain the same accuracy as conventional numerical integration. As an example, the energy levels and wave functions of H_2 for the first 162 rovibrational states are given by this method.
- Rovibrational states; Radial equation; Harmonic oscillator basis; Least squares fit
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