应用科学研究进展 开放获取

抽象的

Spectroscopic studies on Nano-Molecules by using Lie algebraic model

Srinivasa Rao Karumuri, K. Girija Sravani, Vijayasekhar Jaliparthi, Y. Srinivas and L. S. S. Reddy

We have applied Lie algebraic model to nano sized molecules to determine the vibrational spectra of different stretching and bending vibrational modes. The Lie algebraic model of the Hamiltonian expression is

 H = E0 +Σ = n i i i A C 1 +Σ n i j AijCij +Σ n i j ij ij l M

By using the Lie algebraic method, the stretching vibrational energies of fullerene (C80) are calculated in the one-dimensional [U (2)] framework. Using the model Hamiltonian so constructed, we have calculated the local mode vibrational energy levels of the fullerene (C80) accurately.