Studies of the Vibrational Energy Level of H2O by Algebraic and DFT Approaches

S. R. Karumuri; V. U. M. Rao; J. Vijaya Sekhar; M. S. Surendrababu; T. B. Patrudu; N. Vamsikrishna; K. S. Babu; V. S. S. Kumar; G. Srinivas

doi:10.15407/ujpe58.09.0836

Studies of the Vibrational Energy Level of H2O by Algebraic and DFT Approaches

Authors

S. R. Karumuri Department of Electronics & Instrumentation, Lakireddy Bali Reddy College of Engineering Mylavaram, Krishna District
V. U. M. Rao Department of Applied Mathematics, College of Science & Technology, Andhra University
J. Vijaya Sekhar Department of Mathematics, Jawaharlal Nehru Technological University
M. S. Surendrababu Department of Mathematics & Chemistry, GITAM University
T. B. Patrudu Department of Mathematics & Chemistry, GITAM University
N. Vamsikrishna Department of Mathematics & Chemistry, GITAM University
K. S. Babu Department of Physics, Miracle Engineering College
V. S. S. Kumar Department of Electronics & Instrumentation, Rajeev Gandhi Memorial Engineering College
G. Srinivas Department of Physics, KL University

DOI:

https://doi.org/10.15407/ujpe58.09.0836

Keywords:

Lie-algebraic method, vibrational spectra, density functional theory (DFT), H2O

Abstract

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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Published

2018-10-11

How to Cite

Karumuri, S. R., Rao, V. U. M., Sekhar, J. V., Surendrababu, M. S., Patrudu, T. B., Vamsikrishna, N., Babu, K. S., Kumar, V. S. S., & Srinivas, G. (2018). Studies of the Vibrational Energy Level of H2O by Algebraic and DFT Approaches. Ukrainian Journal of Physics, 58(9), 836. https://doi.org/10.15407/ujpe58.09.0836

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Issue

Vol. 58 No. 9 (2013)

Section

Soft matter

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