强磁场中氢分子离子H_2~ 反键态能级的绝热变分计算

采用绝热变分近似方法 ,计算了均匀强磁场 (0 .5≤β≤ 10 0 0 )中H 2 的Δu,Φg,Γu,Hg 态 (无外磁场或外磁场较弱时为反键态 )的能级及原子核间的平衡距离 ,并与前人的结果进行了比较。     

强磁场中氢分子离子H2^＋反键态能的绝热变分计算

采用绝热离分近似方法,计算最均匀强磁场（0.5≤β≤1000)中H2^＋的△μ,Φg,Гu,Hg态（无外磁场或外磁场较弱时为反键）的能级及原子核间的平衡距离,并与前人的结果进行了比较。     

椭球坐标下求解强磁场中的氢原子

在椭球坐标系下,采用B样条基组方法计算了磁场范围在0-1000 a.u.下氢原子低能态能量以及实验室磁场下(几个特斯拉)氢原子里德堡态的能级,并与文献中的精确结果进行了比较.对1s0态,磁场γ≤100 a.u.时,本文计算结果有12位有效数字的精度,γ=1000 a.u.时有11位有效数字的精度.对2p-1低激发态,γ≤100 a.u.时,能量至少有11位有效数字的精度;γ=1000 a.u.时,有9位有效数字的精度.对原子高激发态,我们计算了实验室磁场下(磁场为4.7特斯拉)氢原子里德堡态(主量子数n=23)的抗磁谱,得到了至少10位有效数字精度的能谱.本文方法既适用于超强磁场下低能态的计算,同样适合原子高里德堡态抗磁谱的计算,为精确计算强磁场下原子能谱提供了一个新的可行方案.此外,讨论了本文方法推广到平行及交叉电磁场下原子能谱计算的可行性.     

强磁场中氢原子自离化态的能级及宽度

使用Bsplines与复坐标旋转相结合的方法计算了均匀外磁场(2.35×10~6≤B≤1.175×10~4T)中氢原子│m│=0—5,偶宇称和奇宇称自离化态的能级和宽度.并与已有的结果作了比较.分析了共振态能级位置和宽度与态的宇称、磁量子数│m│及磁场强度的关系.结果表明:Bsplines与复坐标旋转方法相结合可以有效地用于强外场中原子自离化态的计算. 关键词：     

多粒子W态的绝热制备

通过利用时间依赖的外磁场,提出了绝热制备多粒子W态的新方法.同时给出了驱动n个自旋1/2粒子从未纠缠态到W态的相互作用哈密顿量以及绝热和非绝热演化条件,展示了能量和靶态布据随时间的演化图.     

126Xeq+轰击Al表面产生的原子和离子光谱线

报道了高电荷态离子^126Xe^q (6≤q≤30)入射到固体Al表面产生的200～1000nm波段的发射光谱的实验结果。实验表明,在弱束流(nA量级)高电荷态的情况下,通过入射离子与固体靶的相互作用可有效地产生原子和离子的复杂组态间跃迁所形成的可见光波段的特征谱线,而且当入射离子的电荷剥离数超过一临界值后(对Al,q=26),谱线相对强度突然显著增强。根据经典过垒模型COB(The classic over-barrier model),在入射离子的动能较小(～1keV／u)的条件下．高电荷态离子与表面相互作用过程中电子的俘获或转移起着非常重要的作用,通过提高入射离子的电荷态可增强入射离子俘获电子的能力．显著增强激发粒子的光谱线的强度。     

反冲原子对低速离子轰击Si表面时电子发射产额的影响

在兰州重离子加速器国家实验室电子回旋共振离子源高电荷态原子物理实验平台上,用低能(0.75keV/u≤EP/MP≤10.5keV/u,即3.8×105m/s≤vP≤1.42×106m/s)He2+,O2+和Ne2+离子束正入射到自清洁Si表面时二次电子发射产额的实验结果.结果表明电子发射产额γ近似正比于入射离子动能EP/MP.在相同动能下,γ(O)γ(Ne)γ(He),对于原子序数ZP比较大的O2+和Ne2+离子,ZP大者反而γ小,这与较高入射能量时的结果截然不同.通过计算不同入射能量下入射离子的阻止能损S,发现反冲原子对激发二次电子的作用随入射离子能量的降低显著增大,这正是导致在较低能量范围内二次电子发射产额与较高入射能量时存在差异的主要原因.     

任意两态叠加多模泛函叠加态光场的等幂次差压缩

构造了任意两态叠加多模泛函叠加态光场|ψ(2)f>q,利用多模辐射场广义非线性等幂次高次差压缩的一般理论,研究了态|ψ(2)f>q的广义磁场分量的非线性等幂次N次方差压缩特性.得到了一般理论结果,讨论了两种特殊两态叠加多模泛函叠加态光场的差压缩特性.结果表明:1)当qN为偶数时,第一类两态叠加多模泛函叠加态光场和虚相干两态叠加多模泛函叠加态光场都不出现广义磁场分量的非线性差压缩效应,也不处于N-j最小测不准态;2)当qN为奇数时,在一定条件下,任意两态叠加多模泛函叠加态光场中,广义磁场分量呈现出周期性变化的广义非线性N次方差压缩效应.     

带有三体相互作用的XXZ自旋链模型的隐形传态

本文对基于海森堡XXZ自旋链模型的隐形传态的平均保真度进行了详细计算和分析.通过比较不带三体相互作用、仅带一种三体相互作用和同时带两种三体相互作用的各种海森堡铁磁质和反铁磁质XXZ模型在外磁场正向和反向时的保真度与外磁场和温度的关系,找到了一些理想模型,用这些模型进行隐形传态时需要的外界磁场相对较弱、温度相对较高,这个结论为实验上用海森堡XXZ模型进行隐形传态提供了很好的理论依据.     

外磁场中海森伯反铁磁模型的代数结构和压缩态解

外磁场中的XYZ海森伯反铁磁模型，其哈密顿量在自旋波近似下具有so(3,2)李代数结构. 利用代数对角化方法，可得到压缩态形式的能量本征态和相应的能量本征值. 用此方法进一步讨论本征态的基本性质，并建立反铁磁模型与特定类型的双模耦合谐振子的联系. 关键词： 海森伯反铁磁模型 代数对角化 压缩态     

Velocity profiles in repulsive athermal systems under shear

We conduct molecular dynamics simulations of athermal systems undergoing boundary-driven planar shear flow in two and three spatial dimensions. We find that these systems possess nonlinear mean velocity profiles when the velocity u of the shearing wall exceeds a critical value u(c). Above u(c), we also show that the packing fraction and mean-square velocity profiles become spatially dependent with dilation and enhanced velocity fluctuations near the moving boundary. In systems with overdamped dynamics, u(c) is only weakly dependent on packing fraction phi. However, in systems with underdamped dynamics, u(c) is set by the speed of shear waves in the material and tends to zero as phi approaches phi(c), which is near random close packing at small damping. For underdamped systems with phi相似文献   

Nature of the luminescence centers in ionic crystals

The main attention is paid to the following questions: 1. The possible models of the luminescence centers in activated alkali halide crystals, 2. the experimental evidence of the presence of various types of the luminescence centers, 3. the nature of the excitations of the simplest luminescence centers in alkali halides activated by mercury-like ions and by some other ions. Mainly two possibilities of views: the quasi-free ions case on the one hand and the quasi-molecular models on the other are discussed in detail.     

AlO自由基在辐射场中的物理和光谱特性

AlO自由基在金属有机化学、催化材料、燃烧化学及天体物理学等领域受到人们的广泛关注,研究外辐射场下对AlO自由基的物理特性和光谱特征的影响将有助于更深入理解和增强在相关领域的应用。采用密度泛函理论B3PW91方法,在6-311+G(3df,2p)基组水平上优化了不同辐射场(-0.04~0.04 a.u.)下AlO自由基的基态稳定构型,用同样方法计算了该构型的分子结构、总能量、能隙以及红外光谱、拉曼光谱、紫外可见吸收光谱受外辐射场的影响。结果表明,分子结构与辐射场有关。在外辐射场变化范围(-0.04~0.04 a.u.),自由基总能先小幅度增大(-0.03 a.u.达到最大值)后大幅度单调减小;分子键长在负辐射场(-0.04~0 a.u.)没有明显变化,但在(0~0.04 a.u.)正辐射场下单调变长;偶极矩先减小(-0.03 a.u.达到最小值)后增大;而能隙先不断增大(-0.04^-0.02 a.u.),在(-0.02~0.03 a.u.)辐射场能隙基本稳定,随后单调下降。正辐射场(0~0.04 a.u.)对AlO自由基的振动频率和红外强度的影响较大, AlO自由基在0.04 a.u.辐射场下的红外光谱红移74 cm^-1,其对应光谱强度是未加辐射场的80倍;正辐射场(0~0.04 a.u.)的拉曼光谱红移较明显,在0.04 a.u.红移78 cm^-1;负辐射场(0^-0.04 a.u.)对拉曼光谱影响也较大,在-0.03 a.u.辐射场下具有很强的拉曼活性是未加辐射场的688倍;正辐射场(0~0.04 a.u.)下AlO自由基的紫外可见吸收光谱中原来无辐射场下的最大吸收峰(170 nm)蓝移了22 nm且吸收幅度减至一半,在负辐射场范围内(0^-0.04 a.u.)该吸收峰也辐有蓝移其强度也有减弱趋势;AlO自由基的无辐射场下第二个最大紫外可见峰在正辐射场作用下,其波长从282 nm一直递减蓝移13 nm和吸收强度递增至2.2倍,负辐射场范围内(0^-0.04 a.u.)该吸收峰红移10 nm和吸收强度递增了6.2倍,超过了无辐射场下最大吸收波长强度。     

Adaptive passive equivalence of uncertain Lü system

An adaptive passive strategy for controlling uncertain L\"{u} system is proposed. Since the uncertain L\"{u} system is minimum phase and the uncertain parameters are from a bounded compact set, the essential conditions are studied by which uncertain L\"{u} system could be equivalent to a passive system, and the adaptive control law is given. Using passive theory, the uncertain L\"{u} system could be globally asymptotically stabilized at different equilibria by the smooth state feedback.     

Analytic Specific Attenuation Model for Rain for Use in Prediction Methods

Based on the values of k and given by ITU-R for the power-law relationship of specific rain attenuation _R=kR , the analytic expressions for k and are regressed as a function of frequency and are in high agreement with the values tabulated. The specific rain attenuation calculated by the analytic expressions are also in high agreement with those by the values of k and tabulated. Comparisons with other analytic expressions show that the ones in this paper are more accuracy and simple.     

The GHS inequality for a large external field

We consider general even ferromagnetic systems with pair interactions in a nonnegative external magnetic fieldh. Classes of single-site measures are found such that the GHS inequality is valid for allh h, whereh 0 is a number depending on but independent of the size of the system. These measures include both absolutely continuous and discrete measures. For =a ₀+{(1–a)/2} · ( ₁ + _–1), somea [0, 1),h is determined exactly.Alfred P. Sloan Research Fellow. Research supported in part by National Science Foundation grant No. MCS 80-02149.Alfred P. Sloan Research Fellow. Research supported in part by National Science Foundation grant No. MCS 77-20683 and by the U.S.-Israel Binational Science Foundation.     

Compactification of patterns by a singular convection or stress

A wide variety of propagating disturbances in physical systems are described by equations whose solutions lack a sharp propagating front. We demonstrate that presence of particular nonlinearities may induce such fronts. To exemplify this idea, we study both dissipative u_{t}+ partial differential_{x}f(u)=u_{xx} and dispersive u_{t}+ partial differential_{x}f(u)+u_{xxx}=0 patterns, and show that a weakly singular convection f(u)=-u;{alpha}+u;{m}, 0相似文献   

An Extremum Principle for a Neutron Diffraction Experiment

An extremum principle was postulated by Horne, Finkelstein, Shull, Zeilinger, and Bernstein in order to derive the physically allowable parameters for sinusoidal standing waves governing a neutron in a crystal which is immersed in a strong external magnetic field: the expectation value of the total potential V is an extremum. We show that this extremum principle can be obtained from the variational principle used by Schrodinger to derive his nonrelativistic wave equation. We rederive the solutions found by the above-mentioned authors as well as some additional solutions.     

Diastereoisomers of Phosphoryl-imino-Oxazolidines by NMR

We have prepared 2-(0,0-dimethylchiono phosphoryl imino)-3-ethyl-5-methyl-1,3-oxazolidine 1 by reacting 2-imino-3-ethyl-5-methyl-1,3-oxazolidine with dimethyl phosphorochloridothionate in the presence of sodium hydroxide. The pmr spectrum of 1 is shown in Fig. 1. Oxazolidine 1 can be isomerized by methyl iodide to 2-(O, S-dimethylthiolo imino)-3-ethyl-5-methyl-1,3-oxazol-idine. 2. The pmr spectrum of 2, after purification by thin layer chromatography, is shown in Fig. 2. The mass spectrum of 2 gave the molecular ion at 252.