共查询到18条相似文献,搜索用时 78 毫秒
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采用劈裂-伪谱方法求解激光场中的含时薛定谔方程,探讨飞秒激光脉冲中氢原子波包的演化过程.研究了氢原子激发态的径向分布,角向分布、各态布居和电子云密度随时间的变化关系.在用共振激光脉冲控制氢原子波包演化的过程中径向分布、角向分布、各态布居和电子云密度随时间发生变化,但发现径向分布和角向分布在变化的过程中始终经过一些特殊点,并从理论上分析了存在这些特殊点的原因. 相似文献
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根据量子力学原理,氢原子中电子的几率分布由电子的定态波函数可以唯一地确定.在大多数教科书中,通常是将电子沿径向和角度方向的几率分布分别进行讨论,因此很难给出电子在整个空间几率分布的一个完整图象.我们使用蒙特卡罗随机抽样的方法,通过计算机作图形象而逼真地绘制了氢原子中电子的几率分布图,即所谓的电子云.下面介绍所使用的方法. 相似文献
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本文利用两种方法求解二维氢原子的径向方程:一是升降算符法,由所定义的关于量子数m的升降算符,给出了径向波函数之间的递推公式,求出了二维氢原子的能级和径向波函数的表达式;二是通过与三维氢原子径向方程的类比,在三维氢原子径向波函数的基础上,直接给出了二维氢原子径向波函数的一般表示式.两种解法所得结果完全一致. 相似文献
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张昌莘 《原子与分子物理学报》2006,23(1):157-162
在均匀强磁场中,当氢原子的哈密顿量中B2项不能忽略时,氢原子的库仑场对称性遭到破坏,能级简并被全部解除.在应用变分法和数值法计算氢原子的能级过程中,计算十分复杂,而应用微扰法求解氢原子的能级,存在解久期方程的n2高阶行列式的困难.本文应用简并态微扰理论和球谐函数的性质,得到久期方程中非零微扰矩阵元普遍表达式.根据非零微扰矩阵元普遍表达式的性质,可以将氢原子塞曼效应久期方程的n2高阶行列式分解成1阶到n阶共n个低阶行列式的乘积,得到氢原子塞曼效应久期方程的简化公式,使得求解均匀强磁场中氢原子塞曼效应能级过程简化.而且由该公式可以得到氢原子在低能态时塞曼效应能级的解析解.根据该久期方程的简化公式计算了n=3氢原子塞曼效应一级近似能级. 相似文献
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《量子力学可视化的计算机辅助表述》软件(ViQM)是我国自行开发的第一个量子力学教学软件.现阶段该软件主要涉及量子力学的两类基本问题:(1)应用计算机的三维重构技术表现量子力学的定态问题,包括氢原子基态和各种激发态核外电子云的三维重构、多电子原子的壳层结构及分子共价键的三维表述;(2)应用蒙特卡罗随机模拟与动画相结合技术描述散射相关问题,包括单电子衍射、一维隧道贯穿和一般散射问题.封面上表示的三维重构技术在定态问题上的应用.上四幅图分别表示氢原子激发态n=4,l=2,m=0的电子云表观图、断层切片图、等值面外壳图和三维断面图,下两张图分别表示氢分子的电子云和共价键的三维视图.在所涉及到的问题上,比起目前国际上广为流传的《图解量子力学》的IQ软件,技术上高一个层次,形象更加逼真. 相似文献
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Qiang Chen 《哲学杂志》2015,95(33):3712-3726
Based on the semiclassical analysis of photoionization microscopy, we study the ionization of the Rydberg hydrogen atom near a dielectric surface. The radial electron probability density distributions on a given detector plane are calculated at different scaled energies and near different dielectric surfaces. We find due to the interference effect of different types of electron trajectories arriving at a given point on the detector plane, oscillatory structures appear in the electron probability density distributions. With the increase in the scaled energy, more types of electron ionization trajectories appear and the oscillatory structure in the electron probability density distributions becomes complex. Besides, the dielectric constant of the dielectric surface can also affect the electron probability density distributions. Since the photoionization microscopy interference pattern recorded on the detector plane reflects the distribution of the square modulus of the transverse component of the electronic wave function, with the recorded interference pattern, we can investigate the ionization dynamics of the Rydberg atom near surfaces clearly. This study provides some reference values for the future experiment research on the photoionization microscopy of the Rydberg atom near dielectric surfaces. 相似文献
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采用基于密度泛函理论的第一性原理方法,研究了H在不同单轴应变下α-Fe中的间隙占位,计算了H原子的溶解能、态密度、电荷差分密度和电荷布居.结果表明:不同单轴拉压应变作用下,H原子优先占据四面体间隙(Ts)位,且随着压应变减小、拉应变增加,H原子越易溶于α-Fe.压应变使得Ts位的H获得更多的电子,而拉应变减少了这种电荷转移.应用LST/QST过渡态搜索计算垂直应变方向的扩散.八面体间隙位是邻近Ts位H的扩散过渡态.扩散激活能与应变呈线性关系,且随着压应变的增加,扩散激活能降低,扩散更容易. 相似文献
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由电子绕原子核的经典轨道运动出发,对电子的椭圆轨道初始坐标参数求平均,得到空间密度分布。这分布与经典极限条件下氢原子中定态几率密度相同。类似的比较也推广到相空间进行。由这一比较得出结论:定态氢原子波函数不描述单个原子而描述一个系综。
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Dehua Wang Kaiyun Huang Shenglu Lin 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2009,54(3):699-706
The ionization of Rydberg hydrogen atoms near a metal surface at different scaled energies above the classical saddle point
energy has been discussed by using the semiclassical method. The results show that the atoms ionize by emitting a train of
electron pulses. In order to reveal the chaotic and escape dynamical properties of this system in detail, the sensitive dependence
of the ionization rate upon the scaled energy is discussed. As the scaled energy is close to the saddle point energy, the
ionization process of the hydrogen atom is nearly the same as the case of hydrogen atom in an electric field. There is only
a single pulse of electrons, with an exponentially decaying tail. With the increase of the scaled energy, the ionization rates
are similar to the case of the hydrogen atom in parallel electric and magnetic field, a series of electron pulses appear in
the ionization process. This is caused by classical chaos, which occurs for the metal surface. Our studies also suggest that
the metal surface can play the role of both the electric and the magnetic fields. Our theoretical analysis will be useful
for guiding experimental studies of the ionization of atoms near the metal surface. 相似文献
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利用可加性规则,使用Roothaan-Hartree-Fock波函数,在100~5 000 eV下首次采用由束缚原子概念修正过的复光学势,对电子被等电子(Z=10)分子CH4、H2O、HF和NH3散射的总截面进行了计算.束缚原子不同于自由原子之处,是束缚原子考虑了在不同分子中电子云的不同重叠,将计算结果与实验及其它计算结果进行了比较.结果表明,利用被束缚原子概念修正过的复光学势及可加性规则进行计算,其结果的精度要比利用未被束缚原子概念修正过的复光学势及可加性规则进行计算得到的结果好. 相似文献
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V. V. Pupyshev 《Physics of Atomic Nuclei》2013,76(2):171-187
A model of total interaction between a proton incident to a hydrogen atom and the proton that is the nucleus of this atom is proposed. This interaction is assumed to be the sum of the short-range nuclear Reid potential and the long-range Thomas-Fermi potential induced by the Coulomb interaction of the electron with the nucleus of the hydrogen atom. The explicit low-energy asymptotic behavior of the cross section for the proton-hydrogen reaction leading to deuteron production is found. It is shown that this cross section increases in inverse proportion to the collision energy for the proton and hydrogen atom in its zero limit. 相似文献