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对称性计算分子振动频率的研究 预览

Research of Molecule' s Vibrational Frequencies by Symmetry
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摘要 本文利用分子几何结构的对称性质,用对称性群计算具有对称性分子的振动频率,这种方法是非常适用于计算具有高度对称性分子振动问题的,因为只需考虑分子的局部所受的力场,简化了计算过程. Based on geometrical symmetry of molecular structure,we proposed a computational method for vibrational frequenciesof molecules with high symmetry.The method is powerful to deal with vibrational problems of the molecules of high symmetry,only the force field of a single carbon atom is calculated,which simplify computational process.
作者 杨慧 YANG Hui ( Department of Physics , Xinzhou Teachers University, Xinzhou,034000, China)
出处 《枣庄学院学报》 2016年第2期8-9,共2页 Journal of Zaozhuang University
关键词 对称群 振动频率 投影算符 symmetric group vibrational frequencies projection operator
作者简介 杨慧(1982-),女,山西忻州人,忻州师范学院物理系讲师,理学硕士,主要从事原子与分子物理的研究.
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参考文献5

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