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