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Research Article

Academia Journal of Scientific Research 8(9): 273-278, September 2020
DOI: 10.15413/ajsr.2020.0137
ISSN 2315-7712
2020 Academia Publishing

Abstract


Vibrational energy levels computations of H2S and its isotopologues (HDS, D2S)
 

 

Accepted 3rd September, 2020

Ang- yang Yu

East China Jiaotong University, Nanchang, Jiangxi province, 330013, China.

The vibrational energy levels of the ground state of H2S and its isotopologues (HDS, D2S) are determined by both the discrete variable representation for three-dimension (DVR3D) program and modified DVR3D program. The calculated results derived from the two programs were compared with available experimental results for the title systems. It is shown that the calculated results for H2S and D2S agree well with the experimental results and the DVR3D results for HDS were better than the results from the modified DVR3D program when compared with experimental results. It is indicated that both the DVR3D program and the modified DVR3D program have proven to be powerful tools to determine the vibrational energy levels of many triatomic systems.

Key words: Vibrational energy levels, hydrogen sulfide, discrete variable representation.
 

This is an open access article published under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Cite this article as:

Yu Ay (2020). Vibrational energy levels computations of H2S and its isotopologues (HDS, D2S). Acad. J. Sci. Res. 8(9): 273-278.

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