Studies of the vibrational energy level of H2O by algebraic and DFT approaches

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. © 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, 2013.