氢原子在相干态下的Kepler轨道

通过把库仑问题转换成线性谐振子,可以建立二维和三维氢原子不扩散的相干态,力学量在这些相干态中的平均值给出物理空间中Kepler轨道的运动。在变换为谐振子的空间中引入的非物理时间变量起了重要作用。     

氢原子波函数的经典极限分析

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。 关键词：     

氢原子的磁矩--对自旋的讨论之一

利用氢原子的相对论性波动方程计算了氢原子的磁矩。结果表明,现行量子理论中所谓的总磁矩实际上都是由电子的轨道运动产生的,由此提出了所谓的总角动量实际上是相对论性轨道角动量的看法。     

一维氢原子的束缚态

一维氢原子虽是一种理想情况，但量子力学中经常讨论到．本文对于Ｌｏｕｄｏｎ给出的解法加以改进，化为一个数学上较容易的问题．且突出了问题的物理内容．     

氢原子及类氢原子的双波描述

采用双波量子理论对氢原子及类氢原子进行了双波函数描述，讨论了其经典极限。证明了双波函数满足波函数的归一化条件。在双波函数描述下，能量和角动量F的平均值为En和mh。同时求出了r，cosθ,sinθ,cosψ，sinψ和X，Y，Z在双波函数描述的平均值。对力学量f求统计平均值的结果表明，单波函数描述的是氢原子及类氢原子系统的运动状况。只有双波函数描述的是单个粒子的运动状况。     

氢原子光谱精细结构的规律

谱线的精细结构是由能级的精细结构决定的,不考虑相对论效应及电子自旋与轨道的相互作用时,氢原子的能量为E_n=—Rhc/n~2 n=1,2,3,…(1) 通常称为能级,该式只与主量子数n有关。从高能级E_m跃迁到低能级E_n时所发出的光波的频率按波数(?)=1/λ计可用通式     

网孔电流法及其应用

以网孔电流替代支路电流为求解对象的网孔电流法在求解复杂电路上具有明显优势, 基于此介绍了网 孔电流法的基本原理和在物理竞赛中的应用, 并给出示例     

质子与氢原子的碰撞

本文详细地收集了质子与氢原子碰撞的电荷交换截面数据,根据所采用的实验技术和方法对数据的准确度进行了评价。对某些缺乏实验数据的情况。推介了一些理论计算结果供参考。     

氢原子电子云的计算和可视化分析

介绍了氢原子中"电子云"的计算机基本作图方法,一种是蒙特卡罗法,另一种是逐点扫描法.利用MATLAB软件.从不同角度对氢原子各种状态下的电子云三维立体分布进行了可视化,使氢原子中电子概率密度的教学更加直观.     

氢原子斯塔克效应中微扰矩阵元的普遍公式

讨论了任意能级下氢原子斯塔克效应中的微扰矩阵元，并给出了n=4能级的能量一级修正值。     

均匀磁场中氢原子低能级简并度的解除

讨论了均匀强磁场中氢原子哈密顿量中B^2项的影响，指出在忽略自旋－轨道相互作用的情况下，该项可使氢原子低能级简并度完全解除。     

氢原子中电子概率密度的可视化研究

针对量子物理中氢原子电子概率密度抽象、不易理解的特点,本文给出了氢原子中电子概率密度分布函数,包括径向分布和角向分布函数.利用Matlab强大的绘图功能对其分布规律进行可视化研究.结果表明,该方法直观形象地揭示了氢原子中电子概率分布情况,为物理教学提供了新手段.     

The isomerization of cytosine: Intramolecular hydrogen atom transfer mediated through formic acid

The catalytic ability of H₂O and HCOOH to facilitate the tautomerism of KA to KIt isomer has been studied. It is shown that the direct tautomerism (path A) is unlikely because of the high activation free energy, whereas the presence of H₂O and HCOOH (paths B and C) significantly contributes to decreasing the activation free energy. Meanwhile, the conventional transition state theory followed by Wigner tunneling correction is applied to estimate the rate constants. The rate constant with Wigner tunneling correction for direct tautomerization is obviously smaller than that of HCOOH‐mediated tautomerization, which is the most plausible mechanism. Finally, another important finding is that the ratio of reaction rates between direct tautomerism reaction and catalyst‐induced tautomerism increases with the increase of the catalyst concentration at a given temperature. The results of the present study demonstrate the feasibility of acid catalysis for DNA bases isomerization reaction that would otherwise be forbidden.     

NiAl和Cr材料中H原子间隙的第一性原理计算

通过第一性原理赝势平面波方法研究了氢原子在B2-NiAl和Cr合金中的占位以及对键合性质的影响. H在NiAl的富Al和富Ni八面体间隙杂质形成能分别为-2.365和-2.022eV,而在四面体间隙不稳定. H在Cr的八面体和四面体间隙的杂质形成能分别为-2.344和-2.605eV. H在NiAl中的最稳定位置为富Al八面体间隙,而在Cr中的最稳定位置是四面体间隙. 可以预期H在B2-NiAl/Cr体系中主要占据Cr 的四面体间隙位置. 通过分析原子结构、电荷集居数、价电荷密度以及态密度,讨论了H对B2 关键词： NiAl/Cr双相合金 H原子 第一性原理     

氢原子电子云密度分布分析

通过数值计算形象地分析了氢原子中电子概率密度的分布情况,对此做了一些有别于传统认识的讨论,并由此引出了对粒子运动和波函数概率解释的认识。     

The dynamical properties of Rydberg hydrogen atom near a metal surface

The dynamical properties of Rydberg hydrogen atom near a metal surface are presented by using the methods of phase space analysis and closed orbit theory. Transforming the coordinates of the Hamiltonian, we find that the phase space of the system is divided into vibrational and rotational region. Both the Poincaré surface of section and the closed orbit theory verify the same conclusion clearly. In this paper we choose the atomic principal quantum number asn=20. The dynamical character of the exited hydrogen atom depends sensitively on the atom-surface distanced. Whend is sufficiently large, the atom-surface potential can be expressed by the traditional van der Waals force and the system is integrable. Whend becomes smaller, there exists a critical valued _c. Ford>d _c, the system is near-integrable and the motion is regular. While chaotic motion appears ford<d _c, and the system tends to be non-integrable. The trajectories become unstable and the electron might be captured onto the metal surface.     

The dynamical properties of Rydberg hydrogen atom near a metal surface

In recent years much attention is focused on the dynamics of Rydberg atom in exter- nal fields. At the same time Rydberg atom near a metal surface plays an important role as a typical theoretical model and produces measurable experimental response[1]. As an interesting model it covers many dynamical effects: instantaneous van der Waals inter- action[2,3], Zeeman-Stark effects and diamagnetic effects in strong fields[4], and so on. Its classical motion is very complex. When the atom-surface i…