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Some exact interactions between vibrational modes in systems with discretesymmetry can be described by the theory of the bushes of nonlinear normal modes(NNMs) [G.M. Chechin, V.P. Sakhnenko. Physica D 117, 43 (1998)]. Each bushrepresents a dynamical object conserving the energy of the initial excitation.Existence of bushes of NNMs is ensured by some group-theoretical selectionrules. In [G.M. Chechin, et al. Int. J. Non-Linear Mech. 38, 1451 (2003)],existence and stability of the bushes of vibrational modes in the simpleoctahedral model of mass points interacting via Lennard-Jones potential wereinvestigated. In the present paper, we study these dynamical objects by thedensity functional theory in SF6 molecule which possesses the same symmetry andstructure. We have fully confirmed the results previously obtained in theframework of the group theoretical approach and have found some new propertiesof the bushes of NNMs.

Studying of nonlinear normal modes interactions in SF6 molecule with the aid of the density functional theory