Vibrational Frequencies of Buckminsterfullerene: An Algebraic Study

ABSTRACT

Using Hamiltonian based on Lie Algebraic method, the normal vibrational modes of Buckminsterfullerene were calculated. The model appeared to describe Carbon-Carbon stretching modes with lower number of algebraic parameters. The dynamical symmetry group of icosahedron molecule was taken into consideration to construct the model Hamiltonian in this framework. Casimir and Majorana invariant operators were also determined accordingly.

KEYWORDS:

• Buckminsterfullerene (C₆₀)
• icosahedrons
• Lie Algebra
• vibrational spectra

Notes

Note. The third and fourth columns give representative first-principles LDA (local density approximation) based on theoretical results,^{[ 18 , 19 ]} whereas last column shows the results from U(2) algebraic model together with their percentage errors.