Charge-separated resonance structures do not contribute very much to the resonance hybrid of butadiene . 电荷分离的共振结构对丁二烯没有很大的贡献。
This dissertation concentrates on photoionizaiton of mnl and mnll including resonance structure in the framework of many - body perturbation theory ( mbpt ) . more accurate results were obtained by using the new approach to calculate resonance structure and photoionization cross section 首先针对锰原子或离子不同壳层的光电离结构进行特定的理论分析,然后通过合理的选择势能及共振结构的计算方法,并考虑高阶关联,得到了一系列新的更为精确的光电离截面及共振结构。
To solve this problem , higher order diagrams were included after detailed mathematic preparation and physical interpretation . in order to see their effect and to avoid the " black box " working style of cem , these diagrams were added to cem one by one . comparison is made with experiment and the results show that higher order diagrams decrease the diverged resonance structure effectively 针对garvin计算的锰原子里德堡共振结构过于发散,以至于物理上不易接受的问题,我们有效的分析了多体微扰理论中的二阶基态关联图式、 rpa图式以及auger图式,建立了相应的算法和程序,并明确地给出了这些高阶图式的物理意义。