C60分子振动谱计算中群论方法的应用

    The Application of the Group Theory Method to the Calculation of the Vibrational Spectrum of C60 Molecule

    • 摘要: 将群论原理用于C60分子振动谱的计算,彻底解决了动力学矩阵的降阶问题,并提出了一种非线性拟合的有效方法.

       

      Abstract: Group theory principles are applied to the calculation of the vibrational spectrum of C60 molecule. The reduction problem of the dynamical matrix is completely solved. In addition, an effective method of the nonlinear fitting is proposed.

       

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