扩展的纽结量子引力态

给出了微分同胚群的表示.以扩展的Gauss不变量φG和Jones多项式第二个系数J2为基本片段,构造了满足齐次微分同胚约束(D约束)的扩展knot不变量引力态φGJ2,(J2)2和(φG)2J2.得到了它们的具体表式,并通过具体计算,给出了它们满足齐次D约束的证明. 关键词： 微分同胚约束 扩展knot不变量 量子引力态     

量子引力扩展圈表象中微分同胚约束的作用

以不同方法将微分同胚约束(D约束)对扩展圈表象抽象波函数的作用特殊化到圈表象上.以Chern–Simons两点传播子乘积项为量子引力态基本片段,构造出了满足齐次D约束作用的扩展knot不变量引力态(*φ_G)ⁿ.对其中n=1,2之引力态分别进行了满足齐次D约束的具体证明;对n>2之引力态给出了一般证明.     

齐次平衡法求解非线性SCHR(O)DINGER方程

用齐次平衡法求解了非线性Schr(O)dinger方程iφt+a1φxx+a2φ-a3|φ|2φ=0,并讨论了解与方程系数的关系.     

李超代数B(0,1)的超相干态表示

本文反相干态的概念推广到李超代数的情形.我们具体地构造了李超代数B(0,1)的超相干态,计算了B(0,1)生成元在超相干态表示中的矩阵元,获得了B(0,1)代数的一种非齐次微分实现.这种非齐次微分实现对研究量子力学中的准精确可解问题有用.     

J/ψ辐射衰变过程中3~(- )胶子球的产生

本文导出了过程J/φ→γ G(3~(- )),G(3~(- ))→M_1M_2的多重角关联函数,其中G是J~(Pc)=3~(- )的态,M_1和M_2是白旋为零的介子.本文还讨论了3~(- )胶子球态并计算了过程J/φ→γ G(3~(- ))的螺旋性(helicity)振幅之比。结果表明,其中的一个比率与胶子球的质量无关,其值很小。     

SU(2)群的非齐次逆微分实现

利用玻色振子的逆算符构造了SU(2)群的生成元和不可约表示的相干态,进而导出了SU(2)群的非齐次逆微分实现.     

三乙胺分子构象与红外光谱的理论研究

利用密度泛函理论B3LYP的方法,在6-311++G(d,p)基组水平上沿二面角φ₁(C9N1C2C5)和φ₂(C16N1C9C12)构成的二维坐标下扫描了–180°—180°范围内构象异构化势能面,甄别出12种三乙胺基态异构体.进一步辅以二阶微扰理论MP2的方法,在相同基组水平下计算与优化6种能量较低的构象异构体的结构与能量.结果表明具有C3对称性的G1与G1’是最稳定构象,并识别出两种具有新的甲基取向的G4与G4’构象异构体.另外,通过G1—G4红外光谱与振动模式的比较,分析了它们之间的相似性与差异性.G1—G4的红外谱线显示在0—1600 cm^–1范围内的强度较弱,而在2800—3300 cm^–1范围内的强度较强,标定出伞状振动与C—H伸缩振动等特征振动模,不同构象所引起的红外谱峰的平均移动量小于20 cm^–1.     

第Ⅱ种强度不等的两态叠加多模叠加态光场的等阶N次方H压缩——1腔模总数与压缩阶数两者之积取偶数的情形

利用多模压缩态理论研究了第Ⅱ种强度不等的非对称两态叠加多模叠加态光场|Ψ(ab)Ⅱ〉q的等阶N次方H压缩特性.结果发现:1) 当腔模总数q与压缩阶数N的乘积取偶数,亦即qN=2p时,无论p=2m(m=1,2,3,…,…),还是p=2m+1(m=0,1,2,3,…,…),只要各模的初始相位差(φ(a)j-φ(b)j)、态间的初始相位差(θ(aR)nq-θ(bI)nq)及光子干涉项的幅度∑qj=1R(a)jR(b)j等分别满足一定的条件,则态|Ψ(ab)Ⅱ〉q的第一和第二正交分量总可分别呈现出周期性变化的等阶N次方H压缩效应.2) 当qN=2p且p=2m+1(m=0,1,2,3,…,…)时,若构成态|Ψ(ab)Ⅱ〉q的两个不同的量子光场态中各对应模的强度(即平均光子数)和初始相位相等,亦即R(a)j=R(b)j和φ(a)j=φ(b)j(j=1,2,3,…,q),则态|Ψ(ab)Ⅱ〉q可呈现出"等阶N次方H压缩简并"现象     

碳纳米管及其H_2吸附体系的Raman光谱

利用紫外Raman光谱技术 ,对分别以CO和CH4为碳源、由化学催化法制备的两种多壁碳纳米管以及它们的H2 吸附体系进行Raman光谱表征 ,观测到可分别归属于类石墨结构的基频模G (1 5 80cm- 1 )和D (1 41 6cm- 1 ,缺陷诱导 ) ,以及它们的二阶和三阶组合频 2D(2 83 2cm- 1 ) ,D +G (2 996cm- 1 ) ,2G (3 1 6 0cm- 1 )和 2D +G (441 2cm- 1 )的Raman峰 ;H2在这些多壁碳纳米管上吸附有两种形式 :非解离吸附分子氢H2 (a)和解离吸附生成含氢表面物种CHX(x =3 ,2 ,1 ) ,所观测在 2 85 0 ,2 96 7和 3 95 0cm- 1 处的Raman谱峰可分别归属于表面CH2 基的对称C -H伸缩模 ,CH3基的不对称C -H伸缩模 ,以及吸附态分子氢H2 (a)的H -H伸缩模     

体积约束的非局部扩散问题的加罚有限元方法

针对非齐次和齐次体积约束的非局部扩散问题设计了新的有限元方法——加罚有限元方法,并给出该方法的误差分析.数值算例验证了加罚有限元方法的稳定性和有效性.     

核磁共振碳谱研究:烷烃化学位移和(CSS)与分子路径指数矢量(VPM)

系统研究了核磁共振碳谱和化学位移规律及其定量构谱关系(QSSR).本文研究了一组十元素分子路径指数矢量VPM,并发现它与烷烃化学位移和CCS有良好线性相关性.采用多元线性回归进行准确估计与预测,结果优良.     

稠苯芳杂环及其烷基质子化学位移的计算

本文提出了予测稠苯芳杂环及其烷基链上质子化学位移的计算方法。 将稠苯芳杂环化合物用凯库勒式表示,计算式为为需考虑的苯环内的乙烯基效应。σ_mi,ci为各苯环的环流效应。σ_1,Hc为各芳杂环的屏蔽效应,对杂环上质子它就是该单独芳杂环上相应质子的δ值,对苯环上质子要将它分解为各结构因素的效应,即:σ_1,He=(1/2)^d-1δ_x=y(或σ_z)+σ_c-c·σ_m,H. σ_x-y与σ_z为杂原子或其基团的屏蔽效应,σ_c=c为存在于芳杂环中的乙烯基的效应,σ_m,Hc为芳杂环的环流效应,d为对不同质子所考虑的键数。有取代基时需考虑取代基的效应。计算环上烷基质子的公式为:δ=σ_p,CH3+ασ_c,CH3+βσ_t,CH3+σ_l,G σ_l,G为稠苯芳杂环基的某级效应。     

Reduced s-d model with antiferromagnetically coupled impurity spins

An antiferromagnetic equivalent-neighbour Heisenberg interaction H_i between impurity spins is added to the reduced s-d Hamiltonian H_r previously introduced by simplifying the Kondo s-d exchange Hamiltonian H_K. Asymptotic mean-field theory is developed for H_r + H_i, in the presence and absence of external magnetic field, and applied to (La_1−xCe_x)Al₂ alloys. Specific heat c_i(T) and zero-field susceptibility χ_i(0,T) curves for (La_1−xCe_x)Al₂ are depicted. The coupling constants of H_r + H_i and conduction bandwidth are adjusted so that T_c temperatures for x = 0.2, 0.1 are equal to the experimental values. c_i(T) exhibits a jump at T_c and is decreasing for T < T_c. χ_i(0,T) has a first order pole at T_c which corresponds to the maximum of experimental susceptibility and χ_i(0,0) > 0. These results improve those obtained earlier on the grounds of H_r theory.     

Interrelations of discrete Painlevé equations through limiting procedures

We study the discrete Painlevé equations associated to the affine Weyl group which can be obtained by the implementation of a special limits of -associated equations. This study is motivated by the existence of two -associated discrete both having a double ternary dependence in their coefficients and which have not been related before. We show here that two equations correspond to two different limits of a -associated discrete Painlevé equation. Applying the same limiting procedures to other -associated equations we obtained several -related equations most of which have not been previously derived.     

Structural phase transitions at clean and metal-covered Si(111) surfaces investigated by RHEED spot analysis

Structural phase transitions between various kinds of superlattice structures formed on a Si(111) surface have been investigated by spot analysis of reflection high-energy electron diffraction (RHEED). Reversible transitions induced by temperature changes and irreversible ones induced by metal depositions were observed. Detailed discussions on the dynamics of the phase transitions are made by quantitative analyses of integrated spot intensity and profile. For a phase transition of 7′7  1′1 structures on a clean Si(111) surface, a hysteresis with temperature difference of 5°C. between in heating and cooling processes was found in the spot intensity change, indicating a first-order transition. Hysteresis was hardly recognized, on the other hand, for transitions of Au-induced superstructures (5×2-Au or ×-Au)  1×1-Au. The spot profiles were found to be broadened during the transition of Si(111)-×-Au  1×1-Au, which was a signature of a continuous transition, while the profiles remained unchanged during the transitions of the 7×7  1×1 and 5×2-Au  1×1-Au phases. Structural conversions induced by In adsorption on the Si(111) surface kept at constant temperatures were also analyzed. The conversions at room temperature were totally dependent on the initial substrate surface structures; the 7×7 surface did not show any structural conversion with In adsorption, while the ×-In surface successively converted to a 2×2 and a × phase with coverage increase. The structural transitions at elevated temperatures were sensitively dependent on the temperatures. Sequences of transitions among the 7×7, 4×1, ×, 1×, and ×4 were quantitatively revealed as changes in RHEED spot intensity.     

ErP5O14非晶玻璃的红外量子剪裁

研究了Er_1.0P₅O₁₄铒非晶玻璃的红外量子剪裁现象. 从吸收谱和激发光谱的计算比较中肯定了Er_1.0P₅O₁₄非晶 玻璃的1537.0 nm红外荧光为多光子量子剪裁荧光. 从Er_1.0P₅O₁₄非晶玻璃的可见和红外荧光发射光谱中发现激发²H_11/2, ⁴G_11/2和⁴G_9/2能级所导致的⁴I_13/2→⁴I_15/2量子剪裁红外荧光很强;基于自发辐射速率、无辐射弛豫速率和能量传递速率等参数的计算,对其量子剪裁机理进行了分析.发现起源于基态的强下转换能量传递{²H_11/2→⁴I_9/2,⁴I_15/2→⁴I_13/2},{⁴G_11/2→⁴I_13/2, ⁴I_15/2→²H_11/2},{⁴G_9/2→⁴F_7/2,⁴I_15/2→⁴I_13/2}和{⁴G_9/2→⁴I_13/2, ⁴I_15/2→²H_11/2}是导致Er_1.0P₅O₁₄非晶玻璃具有强的三光子和四光子量子剪裁红外荧光的原因.研究结果对改善太阳能电池效率有一定意义.