Studies of the Vibrational Energy Level of H2O by Algebraic and DFT Approaches
DOI:
https://doi.org/10.15407/ujpe58.09.0836Keywords:
Lie-algebraic method, vibrational spectra, density functional theory (DFT), H2OAbstract
The molecular spectroscopy is a branch of physics that deals with the interaction of electromagnetic radiation with matter. Within new theoretical approaches, we have calculated the stretching and bending vibrational energy levels of a water molecule in fundamental and overtone modes. The present calculation not only predicts the higher overtones, but also shows good agreement with a few experimental data.
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Kyiv, Ukraine
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