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给出用Matlab编程计算多个未满l次壳层的等效电子LS耦合原子态的矩阵计算方法,具体计算了4f75d电子组态LS耦合原子态的多重谱项的重数. 相似文献
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基于Matlab的等效电子耦合原子态的矩阵计算 总被引:6,自引:2,他引:4
用专门处理矩阵的Matlab语言编程,用矩阵的思想给出了计算等效电子LS耦合原子态的计算方法.具体计算了h10电子组态的耦合原子态. 相似文献
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利用变分原理,计算出锂原子(类锂离子)第一激发态能量,再用所得到的原子态波函数计算出LS耦合的第一激发态能级的精细结构,将计算结果与实验值比较,误差很小。 相似文献
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本文探讨了快电子碰撞下判别原子跃迁多极性的方法,指出了从实验上由广义振子强度比和光学振子强度比及中间耦合系数的归一化特性来确定中间耦合系数的方法.然后以氩原子为例,计算了其价壳层激发的中间耦合系数,并在2500 eV入射能量下实验测量了氩原子跃迁到3p54s[3/2]1和3p54s′[1/2]1的广义振子强度比,在此基础上阐明了氩原子价壳层激发的多极性,从实验上获得了氩原子3p54s[3/2]1和3p54s′[1/2]1的中间耦合系数.本文得出了LS耦合的波函数足以描述氩原子的光子或快带电粒子碰撞激发过程的结论,这是由于氩原子基态的LS耦合特性在快电子激发过程中选择了激发态波函数中的单态成份决定的.并指明该结论可以推广到描述其它原子的光子或快带电粒子的碰撞激发过程. 相似文献
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由原子基态的电子组态所形成的可能状态中,能级最低的为原子的基态.在LS耦合中,利用原子中电子的壳层分布,应用洪特定则,可以推导出几个公式计算各种原子基态的总轨道角动量量子数L、总自旋角动量量子数S和总角动量量子数J.一、原子基态(L,S,J)的计算 大多数元素的原子中只有一个次壳层未被电子占满,计算时只需计及这一个次壳层中的电子,其他已占满的次壳层无需考虑.下面先讨论这种情形. 根据洪特定则,由同一电子组态所形成的原子状态中,S最大的态能级最低;具有相同S的态中,L最大的态能级最低.所以,由原子基态电子组态所形成的状态中,S… 相似文献
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同科电子j-j耦合形成的原子态 总被引:1,自引:0,他引:1
本文介绍一种较简便的计算同科电j-j耦合形成的原子态的方法.从计算结果看出,同一个同科电子组态,无论是L-S耦合还是j-j耦合,它们形成的原子态数相同,而且表征原子状态的总角动量量子数J的值也相同. 相似文献
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John D. Hey 《Journal of Quantitative Spectroscopy & Radiative Transfer》1977,17(6):721-727
The problem is considered of deducing the electron density of a plasma from the widths of isolated, optically thin lines radiated by the ionic species. From the close connection between the line width calculated in the impact approximation and the atomic oscillator strengths for the collision-induced transitions which contribute to the width, it follows that accurate knowledge of these oscillator strengths is important, particularly in those cases where a few transitions are predominant. This, in turn, implies that careful consideration should be given to the coupling scheme which is used to describe the configuration of the atomic electrons. An important example of a situation where strong deviations occur from the commonly used LS coupling is the case of a single outer electron highly escited above the energies of the inner electrons. Although a form of pair coupling should, in general, be used in such a situation, special cases arise for which LS coupling is still valid. Criteria are derived for distinguishing these cases, an example of which is the 4041A?line of singly-ionised nitrogen. The calculation of the Stark width of this line is discussed in detail and the result compared with a recent measurement. An example of a line whose width cannot be calculated in pure LS coupling is the 4552A?line of singly-ionised nitrogen. This case is also evaluated and the result compared with experiment. 相似文献
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Moore KT van der Laan G Haire RG Wall MA Schwartz AJ Söderlind P 《Physical review letters》2007,98(23):236402
Using electron energy-loss spectroscopy, many-electron atomic spectral calculations, and density functional theory, we show that angular-momentum coupling in the 5f states plays a decisive role in the formation of the magnetic moment in Cm metal. The 5f states of Cm in intermediate coupling are strongly shifted towards the LS coupling limit due to exchange interaction, unlike most actinide elements where the effective spin-orbit interaction prevails. Hund's rule coupling is the key to producing the large spin polarization that dictates the newly found crystal structure of Cm under pressure. 相似文献
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以两个光学电子的原子的sp和p^2组态为例,分析了由于电子自旋-轨道磁相互作用相对于静电相互作用的增强而导致原子状态的角动量从LS耦合过渡到jj耦合。 相似文献