共查询到19条相似文献,搜索用时 125 毫秒
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同科电子L—S耦合原子态的确定 总被引:2,自引:0,他引:2
给出一种确定同科电子L-S耦合原子态的简便方法,同时指出如果两个同科电子组态的电子数之和等于该支壳层上的电子数,那么这两个同科电子组态具有相同的原子态。 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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推求光谱项对于研究原子的结构和光谱十分重要.怎样确定复杂的多电子原子体系的光谱项是原子物理学研究的重要内容之一.受泡利原理的限制,含有多个同科电子的原子电子组态的光谱项的推求一直是原子物理学,结构化学等学科研究的难点,人工方法推求其谱项困难很大.本文根据同科电子在L-S耦合下量子数取值的组合特点,推出了总轨道磁量子数为ML时出现次数的计算公式,结合Maple数学软件,给出了一种推求同科电子光谱项的新方法.根据该公式,使用Maple数学软件,能快速、准确的求得同科电子在L-S耦合下的光谱项.文中我们举例应用该方法,具体推求了同科电子体系d3,f7电子组态在L-S耦合下的光谱项,所得结果与文献给出的一致. 相似文献
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讨论两个电子角动量本证函数耦合的对称性, 推证出所谓同j全等同基矢组耦合态函数的对称性.再 讨论两个电子L—S、j-j耦合原子态的确定,对同科 电子的情况归结为简便的判定法则. 相似文献
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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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由一电子组态经L-S耦合成原子态时,不仅在学生中,而且在一些出版物中[1],常常出现以下两个问题. 1.把同科电子当作非同科电子处理,忽略了泡利不相容原理的限制,得出了一些实际上不存在的谱项[1]. 如(up)3组态,可用列表法找其谱项.按泡利不相容原理,并考虑到磁量子数取值的对称性,表中只要列出ML≥0和Ms≥0的值即可,因为负值不能给出任何新的东西[2].由表1可得(up)3组态形成的所有可能谱项为,2D5/2、3、/2,2P3/2、1/2,4S3/2。比非同科电子情况形成的光谱项(见表2),要少得多. 2.在非同科电子耦合时,不明确重复出现的量子数的物理实质,从而… 相似文献
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本文对原子中同科电子的 L-S偶合,提出一种确定原子态的简易方法,该方法是将原子组态中的电子按着不同自旋状态(α和β)分开进行处理,归纳出给定组态的L、S、J的确定方法,并且运用矢量模型加以详尽的说明.应用该方法求得的原子同科s、p、d、f电子所形成的原子态,其结果与斯莱特(Slater)给出的完全一致. 相似文献
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B. Ivlev 《Physica B: Condensed Matter》2011,406(23):4466-4475
When an atom in vacuum is near the surface of a dielectric the energy of a fluctuating electromagnetic field depends on a distance between them resulting, as known, in a force called van der Waals. Besides this fluctuation phenomenon there is one associated with formation of a mean electric field, which is equivalent to an order parameter. In this case atomic electrons are localized within atomic distances close to the atom and the total ground state energy is larger, compared to the bare atom, due to the polarization of the dielectric and the creation of a mean electric field locally distributed in the dielectric. The phenomenon differs from the usual ferroelectricity and has a pure quantum origin. This results in (i) an unusual atom-dielectric force different from the van der Waals one and (ii) an anomalous Lamb shift in the atom. 相似文献
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求等价电子组态j—j偶合谱项的J值 总被引:2,自引:2,他引:0
j-j偶合方法对研究重核原子的光谱十分重要,然而对于复杂的等价组态用人工推求其j-j偶合谱项已经不可能,其难点在于求j-j偶合谱项总的J值。在这篇论文中,我们提出了推求该类谱项J值的简单方法,利用PASCAL语言编制了计算程序,利用本程序可求出各种等价电子组态j-j偶合谱项的J值,使求取j-j偶合谱项的工作变得方便、快速、准确。 相似文献
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制作了含自组织量子点的金属半导体金属双肖特基势垒器件,研究了器件的电流输运特性.在量子点充放电造成的电流迟滞回路的基础上,观察到了电压扫描过程中的电流由低态到高态的跳跃现象.这种电流跳跃来源于充电量子点的关联放电效应.根据量子点系统的哈密顿量,分析了充电量子点关联放电的原因.这种关联放电效应起源于量子点与2DEG的相互作用,当一个量子点放电时通过量子点和2DEG电流的变化会影响其他的量子点,从而促使其放电,这种过程在整个系统中放大导致所有的量子点放电
关键词:
关联效应
自组装量子点 相似文献
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The two-electron Hooke's atom - a quantum mechanical system with two electrons bound in a harmonic potential - is well known for its exact analytical properties at certain oscillator strengths. The Hooke's atoms with more than two electrons offer more scope for valuable practical applications. In this work, we study the asymptotic structure of these Hooke's atoms in the classically forbidden region. The leading-order term of the long-range expression for the KS exchange-correlation potential v xc (r) is shown to be-1/r. The second and third higher order terms are also exactly obtained. Various components of v xc (r) are also studied. It is shown that the leading term of O(1/r) in vxc (r) is due to the pure Pauli correlation, while the leading contribution of the Coulomb correlation is of O(1/r3 ). Neither of them makes contribution to the term of O(1/r2 ), which is shown to be solely due to the kinetic correlation effect. Results for the two-electron Hooke's atom were obtained before in the literature. Our results reduce to those of the two-electron Hooke's atom as a special case. 相似文献
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Recently, we proposed a very simple quantum chemical model to simulate the effect of external forces acting on a single molecule [Mol. Phys. 107, 2403 (2009)]. It is based on optimizing the geometry of a molecule with an external force applied to selected pairs of nuclei. In this study we extend this model by considering interactions of external forces not only with the nuclei but also with their electrons, in particular their core electrons, which can be viewed as ‘rigidly’ connected to a nucleus. In the proposed revised model an external force acts on an object which consists of the nucleus of an atom and its 1s core electrons. It is shown in this study that such a model predicts the same conformational (structural) changes in a molecule as our simpler model where the external forces interact with the nuclei only. However, the magnitude of the forces required to cause these changes is now lower and within the range of forces used in real AFM experiments. 相似文献