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hhj0514木虫 (正式写手)
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| 上述表中的数据表明：1、高离化态离子的光谱线非常密集，有些能量相差0.01个a.u.。当电子数越多时，谱线越向能量低即长波方向移动。对于如此密集的谱线，实验中只有采用高分辨率的仪器和先进的手段才能观察到，这无疑给实验带来了很高的难度。而我们通过严格的计算得到精确的光谱数据可以为实验工作提供有用的参考数据。2、在产生的谱线中，就相同的两个电子态之间的跃迁而言，从多重度高的谱项跃迁到多重度低的谱项所得到的光谱能量往往都比从多重度低的谱项跃迁到多重度高的谱项所得到的光谱能量要小。这一点在表3.1－3.3中同样可以看出。3、在产生的谱线中，就某一线系而言，随着主量子数的增大，其跃迁几率和振子强度均减少，但是跃迁几率减小的幅度比振子强度要小。根据定义，跃迁几率受能级间隔、跃迁类型和径向积分三个参数的影响，尽管能级间隔随主量子数在增加，但径向积分却在减少，其减少速率快于能级间隔增加速率。由于振子强度与径向积分成正比,与能级间隔成反比，所以振子强度比跃迁几率减小的幅度大是合理的。4、由于原子（离子）体系的自旋－轨道耦合作用实质上是一种相对论效应，而对于高离化态原子来说，价电子受到内层电子的屏蔽作用越小，原子的有效核电荷数越大，即价电子在更强的核电场中运动，相对论效应更显著，从而就有更强烈的旋－轨作用。因此，在这种情况下，我们采用了jj耦合，而非LS耦合，所以像这样的违反LS耦合跃迁定则(△S＝0)的跃迁 1s-2p也是合理存在。5、另外发现：1s-2p,（r=1-6）比 1s-3p 的跃迁能量、跃迁几率、振子强度和线强度要大，但是两者差别很小。例如：r=1时， 1s-2p ,E=226.0334a.u., ，A=9.7643 ， ； 1s-3p ,E=223.4706a.u., ，A=8.7643 ， 。相应的前者比后者稍微高一点。我们知道计算不同能级间的跃迁光谱数据时，选择与产生跃迁能级发生强烈相互作用的电子组态不一样，由这些电子组态形成的组态状态函数CSF就不一样，从而各CSF对原子状态函数ASF的贡献也不一样，最终将影响光谱数据的计算结果。这样我们就可以得出：2s满壳层并没有影响CSF对原子状态函数ASF的贡献，也就是说2s满壳层对其外面的2p壳层上的电子影响并不大。 |
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| The data in the above table shows that: 1, the ions from the high spectral line very intensive, and some energy difference of 0.01 au. When the number of electrons in a long time, the line to the long-wave energy that is moving low. The so-intensive lines, experiments using only high-resolution equipment and advanced tools can be observed that this experiment will undoubtedly bring a high degree of difficulty. We adopted strict calculated precise spectral data for the experimental work can provide a useful reference. 2, in the spectrum, on the same between the two electronic states in terms of the transition from high multiple of the spectrum transition to a low degree of multiple spectra of the energy spectra obtained from multiple often than the low degree spectra of the transition to high multiple of the spectrum by the spectrum of energy to be small. This is 3.1-3.3 in the same table can be seen. 3, in the line, on a line of the case, with the principal quantum number increases, the transition probabilities and oscillator strength reduced, but the rate of decrease transition probabilities than oscillator strength is smaller. By definition, the transition probabilities level spacing, transitions and radial type parameters of the three points, despite the energy interval with the increase in the principal quantum number, but the radial integral had been falling, and the decline rate faster than the increase in energy interval rate. The oscillator strength is proportional and integral radial, and energy is inversely proportional spacing, oscillator strength transition probabilities than the rate of the decrease is reasonable. 4, atom (ion) of the spin - orbit coupling is essentially a relativistic effect, and for highly ionized atoms state, the valence electrons are lining of the shielding role of the smaller electronic, atomic number of effective nuclear charge bigger, more valence electron in the field of nuclear power movement, relativistic effect more visible and thus have a stronger rotation - Orbit role. Therefore, in such circumstances, we have adopted a jj coupling, rather than LS coupling, as a violation of this rule LS coupling transitions (△ S = 0) s-2p transition is a reasonable existence. 5, and found that: 1 s-2p (r = 1-6) to 1 s-3p transition of the energy transition probabilities, the oscillator strength and intensity to the line, but the difference is very small. For example: r = 1, 1s-2p, E = 226.0334au, A = 9.7643,; 1s-3p, E = 223.4706au, A = 8.7643,. Accordingly the former than the latter slightly higher. We know that the level of different transitions spectral data, select a transition and a strong interaction between the energy electron configuration not the same, these electronic configuration formed by the configuration state function CSF is not the same, thus the CSF on atomic ASF contribution to the state does not function like this, and eventually will have an impact on the calculation of spectral data results. So that we can draw: 2 s full shell did not affect CSF on atomic state function ASF contribution, that is 2 s for its shell outside the Shell 2 p little impact on the electronics. |
2楼2008-01-09 14:22:13
