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Current issue   Ukr. J. Phys. 2014, Vol. 58, N 9, p.836-840

    Paper

Karumuri S.R.1, Rao V.U.M.2, Vijaya Sekhar J.3, Surendrababu M.S.4, Patrudu T.B.4, Vamsikrishna N.4, Babu K.S.5, Kumar V.S.S.6, Srinivas G.7

1 Department of Electronics & Instrumentation, Lakireddy Bali Reddy College of Engineering Mylavaram, Krishna District
(Andhra Pradesh, India; e-mail: srinivasakarumuri@gmail.com)
2 Department of Applied Mathematics, College of Science & Technology, Andhra University
(Andhra Pradesh, India)
3 Department of Mathematics, Jawaharlal Nehru Technological University
(Kakinada Andhra Pradesh, India)
4 Department of Mathematics & Chemistry, GITAM University
(Hyderabad, Andhra Pradesh, India)
5 Department of Physics, Miracle Engineering College
(Bhogapuram, Andhra Pradesh, India)
6 Department of Electronics & Instrumentation, Rajeev Gandhi Memorial Engineering College
(Nandyal, India)
7 Department of Physics, KL University
(Vadeswaram, Guntur, Andhra Pradesh, India)

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

Section: Soft matter
Original Author's Text: English

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.

Key words: Lie-algebraic method, vibrational spectra, density functional theory (DFT), H2O.