The characteristics of doubly and triply charged ions C2^2＋, C2^2- and C2^3＋

Based on group theory and atomic and molecular reaction statics, this paper derives the possible electronic states of C^{2+}_2, C^{2-}_2 and C^{3+}_2, and their reasonable dissociation limits and determines their ground electronic states C^{2+}_2(X^3Π_u), C^{2-}_2(X^1Σ^+_g) and C^{3+}_2(X^4Σ^-_u) using quantum mechanical calculations at the level of QCISD/6-311G^*. All the potential energy curves of their ground states have both a minimum and a maximum, which are the so-called "energy trapped" molecules. This sort of potential maximum is chiefly due to Coulomb repulsion. We propose the perturbation effect of ionic charges, which is used to explain why the orbital degeneracy of diatomic ions may be removed. The characteristics of potential curves for diatomic ions are briefly described.     

双荷电双原子分子的新解析势能函数

提出了能更好反映双荷电双原子分子势能曲线特点的新解析势能函数，并推导出了相应的二、三、四阶力常数计算公式；作为新函数的应用实例，给出了BH2+, He22+ 和HF2+等分子离子的解析势能函数，力常数和光谱数据。     

35MeV/u40Ar+197Au中的熵产生

根据量子统计模型(QSM)的计算分析,找到了一个提取核反应过程中熵产生的新的可观测量.核反应过程中约化d的产额d/(d+t+³He+⁴He)和熵有单调的函数关系,并且和体系的碎裂密度(ρ/ρ₀)及体系的N/Z都无关,可以作为提取核反应过程中熵产生的一个观测量.和目前已经有的其他方法相比,约化d产额这一提取熵方法可以用于较低能量的重离子核反应中,并且数据处理分析简单.对于35MeV/u⁴⁰Ar+¹⁹⁷Au的核反应过程所提取的熵和利用约化带电粒子多重性提取的熵结果一致.结合后角类靶热核发射体系实验提取的同位素核温度为4.7±1.2MeV及S/A=2.5±0.5,根据熵和核温度的关联关系,可以确定其Break up密度接近但小于0.1(ρ/ρ₀) 关键词： 熵 约化d产额 核温度 统计发射     

35MeV/u~(40)Ar ~(197)Au中的熵产生

根据量子统计模型 (QSM )的计算分析 ,找到了一个提取核反应过程中熵产生的新的可观测量 .核反应过程中约化d的产额d/ (d t 3 He 4 He)和熵有单调的函数关系 ,并且和体系的碎裂密度 (ρ/ ρ0 )及体系的N/Z都无关 ,可以作为提取核反应过程中熵产生的一个观测量 .和目前已经有的其他方法相比 ,约化d产额这一提取熵方法可以用于较低能量的重离子核反应中 ,并且数据处理分析简单 .对于 35MeV/u4 0 Ar 197Au的核反应过程所提取的熵和利用约化带电粒子多重性提取的熵结果一致 .结合后角类靶热核发射体系实验提取的同位素核温度为 4 7±1 2MeV及S/A =2 5± 0 5 ,根据熵和核温度的关联关系 ,可以确定其Breakup密度接近但小于 0 1(ρ/ ρ0 )     

CH2+, NH2+和HBr2+的解析势能函数

对于有势能极大和势能极小的带两个单位正电荷的双原子分子,王藩侯和朱正和两位教授曾提出了一个六参数的解析势能函数用于描述该系统.本文将以基态的CH2 ,NH2 和HBr2 为例,对该函数进行详细的讨论.对CH2 ,NH2 和HBr2 分别采用MP3/6-311 G**,CISD/6-311 G**和CID/LanL1dz进行了大量的单点计算,根据这些点作出了它们的势能曲线,并采用最小二乘法进行拟合,拟合出了该势能函数的六个参数.在此基础上计算出了力常数和光谱数据.     

Pseudo potential calculations for Na+2, K+2, Rb+2 and Cs+2

A Hellmann type pseudopotential, is used to calculate the six lowest Σ potential energy curves of Na⁺₂, K⁺₂, Rb⁺₂ and Cs⁺₂ molecular ions.     

普适性双原子分子解析势能函数的研究

提出了一种构造解析势能函数的新方法,由此得到了一种既适用于中性双原子分子又适用于带电双原子分子离子的解析势能函数。本文用八种基本类型的双原子分子——同核中性基态双原子分子Na₂-X1Σ+_g,同核中性激发态双原子分子C₂-A1Π_u,同核带电基态双原子分子离子He+₂-X2Σ+_u,同核带电激发态双原子分子离子N+₂-B2Σ+_u,异核中性基态双原子分子NaLi-X1Σ+_g,异核中性激发态双原子分子BH-B1Σ+,异核带电基态双原子分子离子(BC)--X3Π,异核带电激发态双原子分子离子(CS)+-A2Π等共21个算例对势能函数进行了验证并与RKR (Rydberg-Klein-Rees)实验数据进行了比较,计算结果与RKR数据符合很好。     

Study of the 8Be first T = 2 state with 4He + α and 7Li + p initiated excitation functions

In a high resolution study of the ⁴He + α initiated excitation functions in the region of the ⁸Be first T = 2 state, weak resonance excursions have been observed in some reaction channels yielding the total width Γ = 14.7 ± 4.0 keV. No resonance excursion has been observed in the ⁴He + α elastic scattering yielding the branching ratio Γ_α/Γ ≦ 0.003 for the decay of the ⁸Be first T = 2 state into two α-particles. For the decay to the low-lying states of ⁶Li and ⁷Li lower limits of the branching ratio are given. The reinvestigation of the ⁷Li+p initiated excitation functions revealed no resonance anomaly in the region of the ⁸Be first T = 2 state. The upper limit Γ_p/Γ ≦ 0.023 has been derived for the proton decay to the ⁷Li_g.s.. The results are compared with previous measurements and with shell-model calculations.     

超短强激光脉冲与H2＋相互作用研究：经典与量子计算的比较

用经典动力学和量子力学方法分别研究了Ｈ２＋在超短强激光场中的电离、离解和残存行为，得到了相似的结果：即在超短强激光脉冲作用下，Ｈ２＋的电离占优，但有限的量子计算低估了Ｈ２＋的离解几率；而经典处理则没有显示Ｈ２＋在超强场中的稳定化。另外，经典计算表明当核间距Ｒ伸展到一定范围时，Ｈ２＋的电离率最大。这符合量子计算中发现的电荷谐振增强电离（ＣＲＥＩ）现象。     

The Auger electron spectrum of carbon suboxide (C3O2)

The high resolution KLL Auger electron spectrum of carbon suboxide (C₃O₂) in gas form, has been recorded. Assignments, assisted by intensity and energy calculations, are proposed for the peaks in the spectrum. A comparison is made with the oxygen Auger spectrum of CO. The ground state energy of the doubly charged C₃O₂ ion is found to be 29.7 eV.     

D+CD4→CD3+D2反应的四维量子散射计算

运用约化维数量子动力学理论，利用含时波包法，对反应D+CD₄→CD_{3+D2进行了四维量子散射计算.将反应多原子CD4看作双原子D—CD 3，反应D+CD4→CD3+D2看作单原子-双原 子反应，把体系的反应简化为四维散射问题. 波函数的传播采用分裂算符法，为避免格点边界处含时波函数的边界反射，采用了光学吸收 势法，在格点边界处引入光学势，消除边界反射.根据CD4分子的C3v对称性， 选取了Jordan和Gilbert提出的半经验势能面.计算结果表明，反应概率随平动能的变化图像 ，呈现出显著的量子共振特性，这是很多提取反应的共同特征.而不同振动态下的反应概率 随平动能的变化表明，随振动量子数的增大，反应概率有明显提高，且反应阈能明显降低， 这说明反应分子的振动能对分子的碰撞反应有重要贡献.而对基态和第一振动激发态时散射 截面的计算，也证明了这一结论.同时，还分别通过计算量子数j，k，m对反应概率的影响， 对该反应的空间取向效应进行了研究，并与H+CH4→CH3+H2反应进行了比较. 关键词： 含时波包 量子散射 反应概率}     

以一组统一的高斯函数为基函数的双原子分子的Hartree-Fock-Roothaan波函数(Ⅱ)——H2和第一列元素的同核双原子体系A2,A2~±和A2

采用文献的一组统一的doublezeta收缩高斯型函数为基函数,从头计算H₂和第一列元素的同核双原子体系的电子波函数和轨道能量、总能量等物理量。电子态包括同核体系的基态A₂,一些低激发态A₂~*和正负离子态A₂~±,A表示周期表中Li到F的各种元素。计算限于闭壳层电子组态或只带一个未填满的开壳层电子组态。作为例子,报道了H₂和几种基态A₂的电子波函数表。 关键词：     

Elastic Transfer Reactions of 25MeV/u 6He on 9Be Target

Angular distributions for elastic transfer in the ⁶He+⁹Be system were measured at the incident ⁶He laboratory energy of E=150MeV. From a distorted-wave Born approximation (DWBA) analysis,³He spectroscopic amplitude in ⁹Be were extracted and compared with values obtained by shell model calculations. The result shows that the spectroscopic amplitude is much greater than 0.70.     

BeH,H2和BeH2的分子结构和势能函数

用二次组态相关(QCISD)和密度泛函(B3LYP)方法, 选用6-311++g(d,p), 6-311++g(3df,3pd)和D95(3df,3pd)基组对H₂, BeH和BeH₂分子的结构进行优化. 得到它们的基态电子态分别为H₂(¹Σ_g), BeH(²Σ)和BeH₂(¹Σ_{g 关键词： BeH 2}')" href="#">BeH₂ 2')" href="#">H₂ 二次组态相关(QCISD) 势能函数     

Fragmentation channels of relativistic 7Be nuclei in peripheral interactions

At the JINR Nuclotron, ⁷Li nuclei are accelerated. The charge-exchange reaction involving these nuclei at an external target provides a secondary 1.23-A-GeV ⁷Be beam. This beam is used to irradiate emulsion chambers. The mean free path λ_inel(⁷Be) = 14.0 ± 0.8 cm for inelastic ⁷Be interactions in an emulsion coincides within the errors with those for ⁶Li and ⁷Li nuclei. More than 10% of the ⁷Be events are associated with the peripheral interactions in which the total charge of the relativistic fragments is equal to the charge of the ⁷Be nucleus and in which charged mesons are not produced. An unusual ratio of the helium isotopes is revealed in the composition of the doubly charged fragments of the ⁷Be nuclei: the number of the ³He fragments is twice as large as that of the ⁴He fragments. Each of 50% of peripheral interaction events includes two doubly charged fragments. The channels of the ⁷Be fragmentation into charged fragments are presented. In 50% of events, the ⁷Be fragmentation occurs only into charged fragments without the emission of neutrons. The ⁴He + ³He channel dominates, whereas each of the ⁴He + d + p and ⁶Li + p channels constitutes 10%. Two events without neutron emission are observed in the ³He + t + p and ³He + d + d three-body channels. The mean free path for the coherent dissociation of relativistic ⁷Be nuclei into ⁴He + ³He is equal to 7 ± 1 m. The main features of the fragmentation of relativistic ⁷Be nuclei in such peripheral interactions are explained by the ³He + ⁴He two-cluster structure of the ⁷Be nucleus.     

Luminescence as an indication of distortion in A3+2 B4+2 O7 type pyrochlores

The Eu³⁺ luminescent emission spectra of rare-earth titanate, titanate-stannate, stannate, hafnate and zirconate pyrochlores, A³⁺₂B⁴⁺₂O₇, indicated that a linear relationship existed between the splitting of the ⁵D₀ → ⁷F₁ magnetic-dipole transition and the size of the cation present. Small A³⁺ cations and larger B⁴⁺ cations both produced a lattice with a lesser degree of deviation from O_h symmetry.     

Quasifree processes in the 2H + 3He interaction

Quasifree scattering and quasifree reaction processes have been examined in the ³He+ ²H → p+d+d, ³He + ²H → n+p+³He and ³He+²H → p+p+t reactions. Beam energies of E_d = 22.3 and 35 MeV and of E_3He = 30, 33.5, and 52.5 MeV were used. The experimental results are compared with PWIA calculations and Fourier transforms of the wave functions are extracted. The quasifree processes are described qualitatively by the PWIA, but some features cannot be described by either PWIA or DWIA.     

Crossover from high-temperature vortex-liquid to low-temperature vortex-glass behavior in single phase HgBa2Ca2Cu3O8+δ superconductor

The ρ-T curves in our single phase HgBa₂Ca₂Cu₃O_8+δ superconductor were measured as a function of temperature and magnetic field, ρ=ρ₀exp(−U_eff/κ_BT). It can be transformed to another form d(lnρ)/d(1/T)=−U_eff+TdU_eff/dT, then this becomes a plot of the activation energy U_eff as a function of temperature. Our data plotted in these ways show a clear crossover from high-temperature two-dimensional vortex-liquid to a critical region associated with the low-temperature three-dimensional vortex-glass phase transition. The critical exponents v(z−1)=3.9±1.9 in this system are little different with previous measurements in BSCCO and YBCO systems.     

BS分子α带系A~2Π→X~2Σ~+及γ带系C~2Π→X~2Σ~+法兰克-康登因子的计算

在双原子分子核运动的薛定谔方程中，计入分子的振转相互作用项，在Ｍｏｒｓｅ势近似下得出的波函数除与振动量子数有关外，还与转动量子数有关。本文用该波函数编程计算了ＢＳ分子α带系Ａ２Π→Ｘ２Σ＋及γ带系Ｃ２Π→Ｘ２Σ＋法兰克－康登（Ｆｒａｎｃｋ－Ｃｏｎｄｏｎ）因子（简称Ｆ－Ｃ因子）。计算中转动量子数的取值由Ｊ＝０至Ｊ＝２００，其结果适用于低温、高温和强激波条件。     

The N+2 laser

Results of an experimental investigation of a gas-discharge pulse laser on the transition of the N⁺₂ molecule (λ = 4278 Å) are given. The time and spectral characteristics of the output radiation have been measured.