On stability of frustrated quantum magnetic states in fullerenes

Gutzwiller variational ground states [ΦG] of π electrons, described by single-band half-filling Hubbard model, were determined for the molecules C60 and C70 and their energies and magnetic properties investigated. To construct these states two types of trial functions were used: generalized spin-density wave [ΦSD] and tight-binding wave [ΦTB]. Our results evidently show that the Gutzwiller state [ΦGTB] determined by means of function [ΦTB]has lower energy than the other investigated variational states [ΦSD]. Mean values of the operators in the Gutzwiller states were calculated using Monte Carlo method. (author)