CsNiCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应

应用不可约张量理论构造了三角对称晶场中3d²/3d⁸态离子的45阶可完全对角化的微扰哈密顿矩阵，研究了CsNiCl₃晶体的光谱精细结构、晶体结构、零场分裂参量、Jahn-Telller效应以及自旋单重态对Ni²⁺离子基态能级的影响，理论与实验相符合.在此基础上，进一步研究了以前工作中被忽略的自旋-自旋耦合作用和Trees修正对CsNiCl₃晶体的光谱精细结构和零场分裂参量的影响，发现有四种机理会影响零场分裂参量：1)自旋-轨道耦合机理，2)自旋-自旋耦合机理；3)自旋-轨道与自旋-自旋联合耦合机理；4)自旋-轨道与Trees修正联合耦合机理，其中自旋-轨道耦合机理是最主要的，其他三种机理也是不可忽略的. 关键词： 基态能级 精细结构 零场分裂 自旋-自旋耦合     

类碳体系基态能量的相对论修正(英文)

以Breit-Pauli哈密顿的球张量形式为基础,借助不可约张量理论,将多电子原子能量的相对论修正理论拓展到了原子的拉卡波函数为多个Slater基函数的线性组合的情形,导出了此情形下多电子原子能量相对论修正(包括相对论质量修正项、单体和双体迭尔文修正项、自旋-自旋接触相互作用项)的解析表达式,完成了所有角向积分和自旋求和计算.利用所建立的理论,对类碳体系基态能量的相对论修正进行了具体计算.     

Boundedness and convergence of perturbed corrections for helium-like ions in ground states

Applying the improved Rayleigh SchrSdinger perturbation theory based on an integral equation to helium-like ions in ground states and treating electron correlations as perturbations, we obtain the second-order corrections to wavefunctions consisting of a few terms and the third-order corrections to energicity. It is demonstrated that the corrected wavefunctions are bounded and quadratically integrable, and the corresponding perturbation series is convergent. The results clear off the previous distrust for the convergence in the quantum perturbation theory and show a reciprocal development on the quantum perturbation problem of the ground state helium-like systems.     

SU（3）F Meson Mass Formula from Random Phase Approximation

We present an SU(3)F meson mass formula from random phase approximation. Both the mesons of ground-state pseudoscalar octet and ground-state vector octet are described quite well by this mass formula. We also estimate the current and constituent quark masses from the naive quark model and the PCAC relation.     

一类拟线性Schrdinger方程

在二维空间中讨论一类拟线性Schrdinger方程,该方程在物理学上描述了吸引玻色-爱因斯坦凝聚.通过建立这个方程的性质,运用能量方法,证明了该方程所对应的初值问题的解在一定条件下爆破.同时利用变分方法,也得到了整体解存在的一个充分条件,该条件与一个经典的椭圆方程的基态有关.     

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     

MgnLa(n=2-6)掺杂团簇的密度泛函研究

采用密度泛函(DFT)中的B3LYP方法,选择CEP-31g基组,优化并得到了MgnLa(n=2- 6)小团簇的基态平衡结构,计算出了掺杂团簇的基态结构的平均键长、对称性、费米能级、能级间隙、束缚能、总能的二阶差分．结果表明,随着团簇原子数的增加,La原子更容易趋于团簇表面位置. 与未掺杂Mg团簇相比,La原子多采用取代其稳定基态结构的一个Mg原子形成掺杂团簇的稳定结构. 从有限的结果看,其中 Mg3La和 Mg6La的结构更为稳定．     

Ground-State Properties ,of C, O, and Ne Isotopes in Hartree——Fock-Bogoliubov Calculation with Gogny Interaction

Ground-state properties of C, O, and Ne isotopes are described in the framework of Hartree-Fock-Bogoliubov theory with density-dependent finite-range Gogny interaction D1S. We include all the contributions to the Hartree-Fock and pairing feld arising from Gogny and Coulomb interaction as well as the center of mass correction in the numerical calcu/ations. These ground-state properties of C, O, and Ne isotopes are compared with available experimental results, Hartree-Fock plus BCS, shell model and relativistic Hartree--Bogoliubov calculations. The agreement between experiments and our theoretical results is pretty well. The predicted drip-line is dependent strongly on the model and effective interaction due to their sensitivity to various theoretical details. The calculations predict no evidence for halo structure predicted for C,O, and Ne isotopes in a previous RHB study.     

超重核的基态性质

用Skyrme Hartree Fock+BCS方法计算了超重核的基态性质,讨论了结合能、α衰变、形变、壳结构和自发裂变等问题.计算得到的结合能较好地反映了实验测量值,α衰变能与实验值符合很好.发现基本上有两种类型的超重核形变:在270108核附近的β2≈0.2的长椭球形变和在298114核附近的近球形形变.单粒子能级分布计算表明:在质子Z=108和中子N=162存在变形壳,在质子Z=114和中子N=184存在球形壳.用得到的α衰变能和Viola Seaborg公式估算了α衰变半寿命,能合理地符合实验测量值. The ground state properties of superheavy nuclei are investigated using the Skyrme Hartree Fock model. The pairing correlation is treated by the BCS method with the pairing δ force. Binding energies, α decays, spontaneous fissions, shell structures and deformations are discussed. Our calculations reproduce experimential binding energies and α decay energies.It is found that superheavy nuclei can be grouped with two kinds of deformations: i) well deformed prolate shapes (β2≈0.2) around 270108...     

磁场中液氦薄膜表面电子涟波子系统的性质

研究了磁场中液氦薄膜表面电子与涟波子强耦合和弱耦合的性质。采用线性组合算符方法导出磁场中液氦薄膜表面电子 涟波子系统的振动频率和基态能量。讨论磁场对表面电子 涟波子系统的振动频率和基态能量的影响。