交叉电场和磁场中的氢原子

本文讨论了处在交叉电场和磁场中的氢原子的低激发态能级的分裂情况，指出垂直磁场的存在并不破坏电场单独存在时氢原子能级的简并性，为研究高激发态能谱的性质提供了必要的知识。     

N维谐振子和N维氢原子的联系

本文对谐振子和氢原子(N维)的联系作了一般讨论,通过求解N维谐振子的能量本征方程,利用适当变换,由N维谐振子的能级和波函数导出N维氢原子的能级和波函数。     

二维氢原子和二维谐振子能级波函数间的联系

二维氢原子和二维谐振子能级、波函数的求解,归结为解两个完全不同的定态薛定谔方程.本文从二维谐振子的径向方程出发,作适当的变换,得到二维氢原子的径向方程.由二维氢原子的能级和波函数导出二维谐振子的能级和波函数.     

激发态氢原子间的相互作用色散系数

以氢原子动态极化率的格林函数理论为基础,借助归纳法解决了该理论体系中所涉及的复杂微分算子的运算问题,导出了处于任一激发态的氢原子的多极动态极化率的解析表达式,从而解决了处于任意激发态的两个氢原子间的范德瓦尔斯相互作用色散系数的计算问题.作为本理论的应用,给出了氢原子n=4激发态的多极动态极化率的解析表达式,绘出了氢原子n=4激发态的电偶极、电四极和电八极极化率随光场频率变化的曲线图,计算了H(4s)-H(4s)体系的范德瓦尔斯相互作用色散系数.     

索末菲量子化条件修正式的研究

首先说明了波尔量子化条件、普朗克量子化条件与索末菲量子化条件具有对等性;然后对近年来在计算谐振子零点能时提出的索末菲量子化条件修正表达式进行了分析,指出其与波尔氢原子理论存在矛盾;最后在驻波条件的启发下对索末菲量子化条件给出了另外一种修正式,计算表明这一新的修正式既可以正确地给出谐振子的零点能,又能与波尔氢原子理论具有一致性.     

氢原子斯塔克效应的程序化计算

利用Mathematica语言开发了一套用微扰论计算氢原子激发态斯塔克效应的程序,显示了氢原子有关激发态斯塔克分裂能级计算的运行结果、作出了能级分裂图.较之以前的计算方法,计算效率大为提高.     

高激发态原子的二次蔡曼效应

本文对高激发态原子的二次蔡曼效应进行了讨论,并着重分析了类氢原子光谱计及二次蔡曼效应的磁场条件。     

低温氢等离子体中氢原子分子激发态分析

采用发射光谱法对螺旋波低温氢等离子体进行诊断,运用Boltzmann图解法分析氢原子激发态,氢分子振动、转动激发态。结果表明：随着输入射频功率增加,氢等离子体发射光谱强度增强,氢原子激发温度升高,氢分子振动激发温度降低,氢分子转动温度降低;随着气压增大,氢原子激发温度降低,氢分子振动激发温度降低,氢分子转动温度升高。     

二维谐振子与二维氢原子的能量及波函数关系

通过坐标转换,找出了二维谐振子与二维氢原子的能量及波函数之间的对应关系．     

氢原子的q形变及其波函数

通过Kustannheimo－Stiefel变换，可将三维氢原子化为带有约束条件的四组各向同性谐振子，将振子分别进行q形变，可实现氢原子的q形变，求出相应的波函数．     

基于原子与腔场双光子相互作用制备原子W态

提出一种利用原子与腔场双光子相互作用制备原子W态的方案。在此方案中,初始时将一个制备在高能级的两能级原子注入处于真空态的腔场中,其余的两能级原子制备在低能级依次注入腔场中发生双光子相互作用。由于原子与腔场之间相互作用是共振的,因此耦合强度相对较大,这将缩短所需的相互作用时间,从而降低实验中退相干的影响。     

基于原子与腔场谐振相互作用制备原子GHZ态

提出一种利用原子与腔场谐振相互作用制备原子GHZ态的方案。在此方案中,初始时腔场处于真空态,将制备在高能级的三个两能级原子依次注入腔场中发生单光子谐振作用,最后一个制备在低能级的两能级原子注入腔场发生三光子谐振作用。通过对腔场的测量可得到四原子GHZ态。利用该方法原则上可推广得到n个原子GHZ态。     

高激发原子中的通道相互作用及其对自然辐射寿命的影响

根据原子高激发态寿命的多通道量子亏损理论,通过对 Ba 原子偶宇称 J=0和 Yb原子偶宇称 J=0,2高激发态寿命的计算结果的综合分析,进一步探讨了高激发原子中的通道相互作用及其对自然辐射寿命的影响。     

Highly controlled acetylene accommodation in a metal-organic microporous material

Metal-organic microporous materials (MOMs) have attracted wide scientific attention owing to their unusual structure and properties, as well as commercial interest due to their potential applications in storage, separation and heterogeneous catalysis. One of the advantages of MOMs compared to other microporous materials, such as activated carbons, is their ability to exhibit a variety of pore surface properties such as hydrophilicity and chirality, as a result of the controlled incorporation of organic functional groups into the pore walls. This capability means that the pore surfaces of MOMs could be designed to adsorb specific molecules; but few design strategies for the adsorption of small molecules have been established so far. Here we report high levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM. The acetylene molecules are held at a periodic distance from one another by hydrogen bonding between two non-coordinated oxygen atoms in the nanoscale pore wall of the MOM and the two hydrogen atoms of the acetylene molecule. This permits the stable storage of acetylene at a density 200 times the safe compression limit of free acetylene at room temperature.     

Li原子修饰一维六角硼烯链团簇的结构及储氢性能研究

采用密度泛函理论(DFT)方法研究Li原子修饰一维六角硼烯链团簇的结构及其储氢性能。结果表明,氢分子能在Li原子修饰一维六角硼烯链团簇表面吸附,每个Li原子周围可以有效吸附两个H2,几何结构和电子性质的稳定性及合适的吸氢条件表明Li原子修饰一维六角硼烯链团簇材料在常温常压条件下可以作为有效储氢媒介。     

Resonant quantum transitions in trapped antihydrogen atoms

The hydrogen atom is one of the most important and influential model systems in modern physics. Attempts to understand its spectrum are inextricably linked to the early history and development of quantum mechanics. The hydrogen atom's stature lies in its simplicity and in the accuracy with which its spectrum can be measured and compared to theory. Today its spectrum remains a valuable tool for determining the values of fundamental constants and for challenging the limits of modern physics, including the validity of quantum electrodynamics and--by comparison with measurements on its antimatter counterpart, antihydrogen--the validity of CPT (charge conjugation, parity and time reversal) symmetry. Here we report spectroscopy of a pure antimatter atom, demonstrating resonant quantum transitions in antihydrogen. We have manipulated the internal spin state of antihydrogen atoms so as to induce magnetic resonance transitions between hyperfine levels of the positronic ground state. We used resonant microwave radiation to flip the spin of the positron in antihydrogen atoms that were magnetically trapped in the ALPHA apparatus. The spin flip causes trapped anti-atoms to be ejected from the trap. We look for evidence of resonant interaction by comparing the survival rate of trapped atoms irradiated with microwaves on-resonance to that of atoms subjected to microwaves that are off-resonance. In one variant of the experiment, we detect 23 atoms that survive in 110 trapping attempts with microwaves off-resonance (0.21 per attempt), and only two atoms that survive in 103 attempts with microwaves on-resonance (0.02 per attempt). We also describe the direct detection of the annihilation of antihydrogen atoms ejected by the microwaves.     

拓扑指数M及其应用

对饱和直链烷烃分子间相互作用影响因素进行了分析,认为烷烃分子之间和分子内的氢原子之间的相互作用更强,由此提出了一个新的拓扑指数--拓扑指数M,并给出了M的计算方法.用此拓扑指数对C2～C8的39种饱和烷烃的结构选择性进行了讨论,对其常压沸点、常沸点汽化热进行了关联,关联结果非常良好,具有很好的预测能力.     

笼型Li6Si5团簇的结构和储氢性能研究

利用密度泛函M06方法,在6-311+G(d, p)基组水平上对Si_5和Li修饰的Si_5团簇的几何结构和电子性质及储氢性能进行理论计算研究.结果表明, Si_5团簇最低能量构型为笼型结构,纯Si_5团簇不能有效吸附氢分子. Li原子的引入显著改善了Si_5团簇的储氢能力.以六个Li原子穴位修饰Si_5团簇为载体,每个Li原子周围可以有效吸附三个氢分子,其氢分子的平均吸附能为2.395 kcal/mol,储氢密度可达16.617 wt%.合适的吸附能和较高储氢密度表明Li修饰Si_5团簇有望成为理想的储氢材料.     

利用分子束和激光技术研究电子激发态原子、分子的态-态传能(II)--亚稳态原子传能和激发态分子内能量传递

The article presents mainly the study of the changes of rotational angular momentum, electronic spin and nuclear spin in the collision of NH 2() with molecules and the channels of producing the excited NO in the collision of CO(a 3∏) with NO. The mechanism on the E-E energy transfer between rare gas metastable atoms and molecules is also discussed. In addition, the quantum state change in the excited molecules is also considered in the collision with or without intramolecular perturbation.     

Ar－Hg非平衡态等离子体动态原子和准分子占居数的计算

建立了一个原子分子碰撞辐射动态模型，用以模拟Ａｒ－Ｈｇ介质阻挡放电的动力学过程．模型中考虑了原子－原子，原子－准分子以及准分子－准分子之间的相互作用．计算了１１种状态粒子的占居数随时间的变化．给出了微放电等离子体中原子、分子的演化图象．此外，对汞的两个共振激发态以及汞的准分子（Ｈｇ２和Ｈｇ３）形成情况也作了研究．