Author/Authors :
Hara، نويسنده , , Toshiki and Narita، نويسنده , , Susumu and Shibuya، نويسنده , , Tai-ichi، نويسنده ,
Abstract :
Theoretical calculations on C60 show that the singlet—triplet splittings of its Ag and Au states are either zero or very small. In particular, the single-excitation mixing calculations in the zero-differential overlap approximation predict the splittings to be exactly zero. A detailed group-theoretical analysis indicates that this nature of the C60 molecule is intrinsic to its high symmetry.