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简并谱的涨落统计特征分析
引用本文:肖长明,罗久里.简并谱的涨落统计特征分析[J].化学物理学报(中文版),2000,13(2):181-189.
作者姓名:肖长明  罗久里
作者单位:肖长明,Xiao Changming(湖南师大物理系,长沙,410081);罗久里,Luo Jiuli(四川大学化学系,成都,610064)  
摘    要:通过引入权重的方式,使简并谱的积累函数形式上连续递增,并用带权重的多元线性拟合提取涨落谱,由此建立一套适用于分析简并谱的NNS分布、谱刚度、能谱分维函数等涨落统计特征的方法,并具体分析了H2O、NH3及CH4分子的振动能谱进行涨落统计特征分析:发现它们的规则谱和约化非简并谱的涨落统计特征均已非Poigson化;而且约化非简并谱的非Poisson化程度较规则谱明显,即前者的能级斥力较后者大;此外,随着简并度的增加,H2O、NH3、CH4的涨落统计特征由非Poisson型向近Poisson型过渡.

关 键 词:简并谱  邻间距谱  加权多元线性回归

Analyses Statistics Character of Fluctuations in Degenerated Spectra
Xiao Changming,Luo Jiuli.Analyses Statistics Character of Fluctuations in Degenerated Spectra[J].化学物理学报(中文版),2000,13(2):181-189.
Authors:Xiao Changming  Luo Jiuli
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Abstract:The degeneracy appears generally in the energy level spectra. It is related closely to the symmetrical character of the corresponding Hamiltonian random matrix. According to the fact that the state space of Hamiltonian matrix for degenerated spectra can be expanded into a series of sub-space corresponding to different eigenvalues, the degenerated spectra is dealed with by a special way. By introducing weights of the levels, the accumulative function curve of the degenerated spectra is smoothed. Therefore the fluctuation spectra can be unfolded by means of polynomial expansion fitting with weights. Then a set of methods that are used to analyses statistical character of fluctuation such as the NNS distribution, the spectra rigidity and the fractal dimension function for energy levels are suggested. Further more, the degenerated spectra such as the vibrational energy spectra of the molecules of H2O、 NH3、 CH4 are analyzed with this method. It's tums out that both their regular spectra and reduced non-degenerated spectra are nonpoissonized, further more, the former is obviously further nonpoissonized compared with the latter,i.e.,the level repulsion of the reduced non-degenerated spectra is greater than the corresponding regular one. However, the statistic character of fluctuations in energy spectra of the H2O, NH3, CH4 are different because of their degeneracies: they transform from the obviously nonpoissonized type to the closely poisson type.
Keywords:Degenerated spectra  Nearest neighbor spacing distribution  Polynomial expansion fitting with weights      
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