We research on the carbon dioxide dimers ( c2h and c2v ) by dft too . the results indicate that dissociation energies is kjmol - 1 and intermolecular vibration frequencies are small of both carbon dioxide dimers ( cah and civ ) . therefore we prove that the carbon dioxide dirners are weakly bound molecule indeed 采用量子化学计算手段,我们研究了co _ 2二聚体( dimer ) ,证实了co _ 2二聚体确实是弱结合分子,因而在超临界状态下co _ 2具有很强的动力学特征。