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共轭多聚分子由同一结构单元组合而成,本文给出了由一个结构单元计算整个分子的能级的图论算法,从而使共轭多聚分子的能级的计算大为简化。
Conjugated molecules are composed of the same structure units. In this paper, we give a graph theory algorithm that calculates the energy level of the whole molecule from one structural unit, which greatly simplifies the calculation of the energy levels of the conjugated polymer molecules.