• Title of article

    On the singlet—triplet splittings of the Ag and Au states of C60

  • Author/Authors

    Hara، نويسنده , , Toshiki and Narita، نويسنده , , Susumu and Shibuya، نويسنده , , Tai-ichi، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    6
  • From page
    183
  • To page
    188
  • 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.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1781191