Theoretical study of the electronic structure of LiNa and LiNa<Superscript>+</Superscript> molecules

Adiabatic potential energy, spectroscopic constants, dipole moments, and vibrational levels of the lowest electronic states of the alkali dimer LiNa molecule dissociating into Na (3s, 3p, 4s, 3d, and 4p) + Li (2s, 2p, 3s, and 3p) in ^1,3Σ, ^1,3Π, and ^1,3Δ symmetries are presented. Adiabatic results are also reported for ²Σ, ²Π, and ²Δ electronic states of the molecular ion LiNa⁺ dissociating into Li (2s, 2p, 3s, and 3p) + Na⁺ and Li⁺  + Na(3s, 3p, 4s, 3d, and 4p). We use an ab initio approach involving a non-empirical pseudopotential for the Li (1s²) and Na (1s²2s²2p⁶) cores and core valence correlation correction. A very good agreement is obtained for some lowest states of the LiNa and LiNa⁺ molecules for spectroscopic constants with the available theoretical works. The existence of numerous avoided crossings between electronic states of ²Σ and ²Π symmetries is related to the charge transfer process between the two ionic systems Li⁺Na and LiNa⁺.     

Symmetry Groups and Exact Solutions of New （4＋1）-Dimensional Fokas Equation

In this paper, we investigate symmetries of the new （4＋1）-dimensional Fokas equation, including point symmetries and the potential symmetries. We firstly employ the algorithmic procedure of computing the point symmetries. And then we transform the Fokas equation into a potential system and gain the potential symmetries of Fokas equation. Finally, we use the obtained point symmetries wave solutions and other solutions of the Fokas equation. and some constructive methods to get some doubly periodic In particular, some solitary wave solutions are also given.     

Stable solutions for qq^- bound states with a regularized Breit potential

The Breit interaction contains singular terms which may lead to an instability in quark-antiquark bound state calculations. We regularize the Breit interaction by multiplying the singular terms in momentum space by the form factor μ^2/（q^2＋μ^2） such that the interaction is not singular at the origin and the intermediate-and long-range parts of the interaction remain unchanged. The singular terms in the Breit potential find their stable contributions in the calculations after being multiplied by the form factor with different powers. Such a regularized Breit potential with a linear and a relativistically corrected confining potential are applied to the study of qq^- bound states. The spectra for most familiar mesons are consistently obtained and agree well with the experimental data.     

基于直边衍射高斯激光驻波光学势阱仿真

为了研究基片边缘对激光汇聚原子光学势阱的影响, 基于标量光学理论, 采用数值计算对基片衍射与否两种情况下, 高斯激光驻波场光学势阱进行了仿真, 通过三维和截面仿真图充分显示了两种情况下高斯激光光学势阱的异同. 详细研究了激光中轴线与基片表面距离、 激光束腰和反射镜之间的距离对光学势阱的影响.     

Partial electrical potential distribution around nanospheres in metallic nanostructured films

In light of the nanostructured surface model, where half-spherical nanoparticles grow out symmetrically from a plane metallic film, the mathematical model for the partial electrical potential around nanospheres is developed when a uniform external electric field is applied. On the basis of these models, the three-dimensional spatial distribution of the partial electrical potential is obtained and given in the form of a curved surface using a numerical computation method. Our results show that the electrical potential distribution around the nanospheres exhibits an obvious geometrical symmetry. These results could serve as a reference for investigating many abnormal phenomena such as abnormal infrared effects, which are found when CO molecules are adsorbed on the surface of nanostructured transition metals.     

PH, PD和PT分子常数理论研究

采用内收缩多参考组态相互作用(MRCI)方法和包含Davidson修正(+Q) 的MRCI方法结合相关一致基aug-cc-pV5Z研究了PH (X³Σ^-, a¹Δ和A³∏)分子的势能曲线. 在同位素质量识别的基础上对势能曲线进行拟合, 得到PH, PD和PT分子各个电子态的光谱常数(T_e, R_e, ω_e, ω_ex_e, α_e和 B_e). 通过与已有实验数据的比较发现, 本文的结果与实验结果非常一致. 对于PH, PD和PT分子的Σ^-电子态, 计算得到了J = 0时的前12个振动态. 对于每一个振动态, 还分别计算了它的振动能级、惯性转动常数和离心畸变常数. 与其他理论结果和实验数据进行比较可知, 本文的结果更精确、更完整. 文中PD和PT分子的光谱常数和分子常数均属首次报导.     

高频原子波导中冷原子的磁导引

建立了高频原子波导模型,分析了铷冷原子在该波导内与磁场的相互作用势。高频波导线圈输入电流,在线圈中心轴线区域的势阱深度为mK量级,在线圈的径向能对温度为100 K左右的冷原子实现囚禁。通过分析可知改变输入波导线圈的输入电流大小,可改变势场的大小。计算了进入高频原子波导的冷原子和波导磁场产生相互作用束缚力的大小。在波导轴线中心区域,原子受到的束缚力较大,最大为1.710－23 N,为原子所受重力的10倍。     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子