Analysis of the Vibrational Spectra of Polyatomic Molecules Using an Algebraic Model: An Application to XH3

Joydeep Choudhury ； Nirmal Kumar Sarkar ； Subha Gaurab Roy ； Ramendu Bhattacharjee

《Chinese Journal of Physics》 50卷3期 (2012/06) Pp. 450-458

並列摘要

Algebraic techniques are examined as a computational tool for the analysis and interpretation of the experimental vibrational spectra of small and medium sized molecules. These techniques are based on the idea of dynamical symmetry, which in turn is expressed through the language of unitary Lie algebra. In this paper, the stretching vibrational spectra of Arsine and ammonia molecules are calculated up to v = 4 using U(2) algebra. The model Hamiltonian so constructed seems to describe the As-H and N-H stretching modes accurately with only four numbers of parameters.