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在多通道量子亏损理论框架下,利用相对论多通道理论,分别在冻结实近似和考虑偶极极化下计算钪原子的Jπ=(3/2)-,(5/2)-的三个收敛于[Ar]3d4s(1D2)的自电离里德伯系列的能级.对3d4s(1D2)np2D3/2和3d4s(1D2)nf2F5/2这两个系列,计算结果表明,考虑偶极极化效应后,理论计算和实验测量的量子数亏损之差普遍小于0.01.而对3d4s(1D2)nf2D3/2系列,考虑偶极极化效应后的结果和仅考虑冻结实的结果比较接近,理论计算和实验测量的量子数亏损之差普遍在0.04左右. 相似文献
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Using the R-matrix method, we carry out theoretical calculations for recombination line λ 8794 A(3d′-3p′) of C Ⅱ, which is important to estimate the abundances of carbon in planetary nebulae. Our calculations are based on three sets of target orbital basis, through which we elucidate the electron correlation and static polarization effects in the dielectronic recombination processes. 相似文献
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本工作使用高分辨快电子能量损失谱仪,在入射电子能量1 500 eV、能量分辨200 meV和散射角度0.5°~ 4.0°的实验条件下,测量了氦原子在电离连续区24.5~28.5 eV的双重微分散射截面.通过与理论及其它入射能量实验结果的比较,认为在入射电子能量为1 500 eV 时一阶Born近似成立. 相似文献
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铥原子收敛于4f~(13)(~2F~?_(7/2))6s(7/2,1/2)~?_4和4f~(13)(~2F~?7/2)6s(7/2,1/2)~?_3偶宇称里德伯系列能级的电子关联效应 下载免费PDF全文
本文在多通道量子亏损理论框架下,利用相对论多通道理论,计算了铥原子收敛于4f~(13)(~2F?_(7/2))6s(7/2,1/2)?_4和4f~(13)(~2F?7/2)6s(7/2,1/2)?_3的三个偶宇称里德伯系列.通过将计算结果与美国国家标准与技术研究院数据进行比较,展示了两种类型的电子关联效应:1)里德伯系列之间的相互作用,导致里德伯系列的能级出现整体偏移; 2)一个孤立的干扰态镶嵌在一个里德伯系列中,破坏了该里德伯系列能级的规则性. 相似文献
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本文在多通道量子亏损理论框架下,利用相对论多通道理论,计算了铥原子收敛于4f13(2F7/2o)6s(7/2,1/2)4o和4f13(2F7/2o)6s(7/2,1/2)3o的三个偶宇称里德伯系列.通过将计算结果与美国国家标准与技术研究院数据进行比较,展示了两种类型的电子关联效应:1)里德伯系列之间的相互作用,导致里德伯系列的能级出现整体偏移;2)一个孤立的干扰态镶嵌在一个里德伯系列中,破坏了该里德伯系列能级的规则性. 相似文献
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Using multi-configuration Dirac-Fock and relativistic configuration interaction methods with high-order corrections, we report our precise calculation results of the fine-structure energy levels of the ground-state configuration of OⅡ(1s^22s^22p^3). Our calculated fine-structure splittings of ^2D3/2,5/2 and ^2p1/2,3/2 are abnormal We elucidate that the transverse (Breit) interaction, i.e. relativistic retardation effect, plays an important role for the abnormal fine-structure splittings. Our calculation results are in good agreement with experimental measurements. 相似文献
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Ionic Rydberg energy levels of lanthanum are calculated from first principles by relativistic multichannel theory within the framework of multichannel quantum defect theory. The present calculated results are in better agreement with the experimental measurements than the previous calculations [J. Phys. B 34 (2001)369] due to the consideration of dynamical polarizations. Moreover, in the experimental spectra achieved by a five-laser resonance excitation via the intermediate state 5d6d^3 F2, a series of weak ionic Rydberg states and some of perturbing states are found and assigned in this work. 相似文献
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Experimental and theoretical investigations of absolute optical oscillator strengths for valence excitations of nitric oxide 下载免费PDF全文
The absolute optical oscillator strength density spectra of nitric oxide in the energy region of 5.0-22.0 eV have been measured by a high-resolution fast-electron energy loss spectrometer. With the calculated results obtained by the multiscattering self-consistent-field method and channel characteristics, the strongly overlapped spectra in the energy region of 7.5-9.3 eV have been analysed and the corresponding partially vibrationally resolved optical oscillator strengths have been estimated from the experimental spectra. 相似文献