氢分子在磁场中回归谱的散射矩阵理论研究

利用散射矩阵理论,结合扩展的半经典闭合轨道理论和多通道量子亏损理论,计算了磁场中高里德堡H2分子的回归谱.该方法使用了两个空间散射矩阵来描述里德堡电子的动力学性质,计算中可以包括所有阶的实散射的作用.回归谱的每一个尖峰对应着一条闭合轨道,新的额外峰是由于弹性散射和非弹性散射所引起的通道内和通道间的轨道组合,进一步证明了体系通道间和通道内的散射具有同等的重要性.     

氢分子在磁场中回归谱的散射矩阵理论研究

利用散射矩阵理论,结合扩展的半经典闭合轨道理论和多通道量子亏损理论,计算了磁场中高里德堡H2分子的回归谱.该方法使用了两个空间散射矩阵来描述里德堡电子的动力学性质,计算中可以包括所有阶的实散射的作用.回归谱的每一个尖峰对应着一条闭合轨道,新的额外峰是由于弹性散射和非弹性散射所引起的通道内和通道间的轨道组合,进一步证明了体系通道间和通道内的散射具有同等的重要性.     

氢分子在磁场中回归谱的散射矩阵理论研究

利用散射矩阵理论，结合扩展的半经典闭合轨道理论和多通道量子亏损理论，计算了磁场中高里德堡H2分子的回归谱．该方法使用了两个空间散射矩阵来描述里德堡电子的动力学性质，计算中可以包括所有阶的实散射的作用．回归谱的每一个尖峰对应着一条闭合轨道，新的额外峰是由于弹性散射和非弹性散射所引起的通道内和通道间的轨道组合，进一步证明了体系通道间和通道内的散射具有同等的重要性．     

平行电磁场中He原子回归谱中的排斥势效应

利用包括实散射的闭合轨道理论和分区自洽迭代的计算方法,研究了在标度能量~ε=-0.03和标度电场~f=0.01的情况下He(M=1)原子在平行电磁场中的闭合轨道和光吸收的回归谱.与相同条件下的He(M=0)原子的回归谱相比较,由于z轴处的排斥势,减小了原子实短程衍射效应和电子的关联,使谱变得简单,这与实验的结果一致.     

平行电磁场中He+2的回归谱与闭合轨道的研究

利用半经典闭合轨道理论和分区自洽迭代方法计算了Rydberg态下He⁺₂在平行电磁场中的回归谱与闭合轨道. 为了模拟分子实的散射作用,引入一个包含电子交换势的新势能. 利用这一新势能,结合多通道量子亏损和分子闭合轨道理论,讨论了分子实散射效应对平行电磁场中He⁺₂的回归谱与闭合轨道的影响. 关键词： 回归谱 分子半经典闭合轨道 交换势 实散射     

外电场中Li原子回归谱的分岔效应

半经典闭合轨道在外场和激光参数的某些值附近发生分岔，导致波函数的发散，使原有的半经典闭合轨道理论失效-计算了高激发的Li原子在标度能量为ε=-2-94，标度电场在135 -86-1/4<160-11范围内光吸收谱的Fourier变换，分析了轨道分岔现 象及其影 响，并采用了一种适用于不同能域的统一近似方法修正了分岔点附近波函数-计算中考虑了 原子实多重散射组合回归效应，并把所得回归谱与用标准半经典闭合轨道理论对Li原子及H 原子的计算结果相比较，证明了轨道分岔效应的重要性- 关键词： 分岔 统一近似 半经典闭合轨道理论 回归谱     

Li里得堡原子在振荡场中的回归谱研究

文中应用扩展的半经典闭合轨道理论计算了Li原子在平行电磁场加一个振荡电场中的回归谱.与相同情况下平行电磁场中的回归谱比较,当附加含时振荡场时,静外场中的吸收光谱的强度被很大程度地减弱.另外,分别讨论了回归谱强度随振荡场振幅以及频率的变化规律.     

里德堡NO分子在强磁场中的回归谱

利用分子轨道理论,结合一个新的模型势,我们给出了里德堡NO分子中激发态电子所受到的作用势的解析表达式.利用分子的闭合轨道理论和分区自洽的迭代方法,首次从理论上计算了NO分子在强磁场中的回归谱.通过和A.Matzkin等人给出的NO分子在强磁场中的实验谱的比较,表明我们的计算是正确的.     

里德堡钠原子抗磁谱的模型势计算

用B样条基组展开方法结合模型势计算了里德堡钠原子抗磁谱和相应的振子强度谱.径向和角向均采用高阶B样条基组.计算结果与已有的R-矩阵和多通道量子亏损理论相结合(R-matrix MQDT)法及其他理论计算结果作了比较,几种理论结果在我们所研究的能区内符合得非常好.本文方法较R-ma-trix MQDT法简单,易于推广到交叉电磁场中里德堡原子的精确谱的计算中.     

里德堡钠原子抗磁谱的模型势计算

用B样条基组展开方法结合模型势计算了里德堡钠原子抗磁谱和相应的振子强度谱. 径向和角向均采用高阶B样条基组.计算结果与已有的R-矩阵和多通道量子亏损理论相结合(R-matrix+MQDT)法及其他理论计算结果作了比较,几种理论结果在我们所研究的能区内符合得非常好.本文方法较R-matrix+MQDT法简单,易于推广到交叉电磁场中里德堡原子的精确谱的计算中.     

Absorption and Recurrence Spectra of Li Rydberg Atom in Perpendicular Electric and Magnetic Fields

We develop the semi-closed orbit theory from two degrees of freedom to three non-separable degrees of freedom and put forward a new model potential for the Li Rydberg atom, which reduces the study of the system to an effective one-particle problem. Using this model potential and the closed orbit theory for three degrees of freedom, we calculate the recurrence spectra of Li Rydberg atom in perpendicular electric and magnetic fields. The closed orbits in the corresponding classical system have also been obtained. The Fourier transformed spectra of Li atom have allowed direct comparison between the resonance peaks and the scaled action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. Our result is in good agreement with the quantum spectra, which suggests that our calculation is correct.     

Absorption and Recurrence Spectra of Li Rydberg Atom in Perpendicular Electric and Magnetic Fields

We develop the semi-closed orbit theory from two degrees of freedom to three non-separable degrees of freedom and put forward a new model potential for the Li Rydberg atom, which reduces the study of the system to an effective one-particle problem. Using this model potential and the closed orbit theory for three degrees of freedom, we caiculate the recurrence spectra of Li Rydberg atom in perpendicular electric and magnetic fields. The closed orbits in the corresponding classicai system have also been obtained. The Fourier transformed spectra of Li atom have ailowed direct comparison between the resonance peaks and the scaied action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. Our result is in good agreement with the quantum spectra, which suggests that our calculation is correct.     

Semiclassical calculation of the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields

Closed orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. By developing the closed orbit theory from two degrees of freedom to three non-separable degrees of freedom, we calculated the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields. The closed orbits in the corresponding classical system have also been obtained. Fourier transformed spectra of He atoms have allowed direct comparison between the resonance peaks and the scaled action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. The semiclassical result is in good agreement with the quantum spectra, which suggests that our method is correct.     

Recurrence spectra of Li atom in strong external fields

Based upon our previous work [Commun. Theor. Phys.. 40,702 (2003)], we developed the closed orbit theory from two degrees of freedom to three non-separable degrees of freedom and calculated the recurrence spectra of Li Rydberg atom in strong perpendicular electric and magnetic fields. The Fourier transformed spectra of Li atom has allowed direct comparison between the resonance peaks and the scaled action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. The semiclassical result is in good agreement with the quantum one, which suggests that our calculation is correct.     

Semiclassical Calculation of Recurrence Spectra of Li Rydberg Atom in Crossed Electric and Magnetic Field

Closed-orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. Using the dosed-orblt theory and classical perturbation theory, we calculate the scaled recurrence spectra of Lithium atom in magnetic field plus a weak perpendicular electric field. The results show when the crossed electric field is added, the recurrence spectra are weakened greatly. As the scaled electric field f increases, the peaks of the recurrence spectra lose strength. Some recurrences are very sensitive and fall off rapidly as f increases, others persist till much higher f. As the electric field is stronger, some of the peaks revive. This phenomenon, caused by the interference among the electron waves that return to the nucleus, can be computed from the azimuthal dependence of the classical closed orbits.     

Semiclassical Calculation of Recurrence Spectra of Li Rydberg Atom in Crossed Electric and Magnetic Field

Closed-orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. Using the closed-orbit theory and classical perturbation theory, we calculate the scaled recurrence spectra of Lithium atom in magnetic field plus a weak perpendicular electric field. The results show when the crossed electric field is added, the recurrence spectra are weakened greatly. As the scaled electric field f increases, the peaks of the recurrence spectra lose strength. Some recurrences are very sensitive and fall off rapidly as f increases; others persist till much higher f . As the electric field is stronger, some of the peaks revive. This phenomenon, caused by the interference among the electron waves that return to the nucleus, can be computed from the azimuthal dependence of the classical closed orbits.     

The closed-orbit and the photoabsorption spectra of lithium atom in varying＇magnetic fields

Using a simple analytic formula from closed orbit theory, we have calculated the photoabsorption spectra of Li atom in different magnetic fields. Closed orbits in the corresponding classical system have also been obtained for B=5.96T.We demonstrate schematically that the closed orbits disappear gradually with the decrease of the magnitude of the magnetic field. This gives us a good method to control the closed orbits in the corresponding system by changing the magnetic field, and thus changing the peaks in the photoabaorption spectra. By comparing the photoabsorption spectra of Li atom with those of hydrogen case, we find the core-scattered effects play an important role in multi-electron Rydberg atoms.