2+1维SU(2)格点规范场胶球波函数的高阶RPA计算

采用无规相近似(RPA)耦合集团展开方法求解薛定谔本征值方程，计算高阶胶球波函数. 在计算中，用空心Wilson圈图作为试探波函数，对特殊Wilson圈图作近似处理，计算出的2+1维SU(2)格点规范场的六阶和七阶胶球波函数的μ0F和μ2F及相关参数z 在弱耦合区(β=4.8-9.6)出现较好的标度行为，七阶真空能量在整个区域(β=0.8-8.0)与六阶真空能量一致.     

The wavefunction envelope in one-dimensional random potentials

We propose a formalism for the study of mean resistance of a one dimensional chain of random potentials. We obtain the resistance as a function of the length of the chain. In the asymptotic limit, this is related to the wavefunction envelope. The formalism demands loss of translational symmetry, but is general enough to include potentials with spatial correlations which are not long ranged and also those whose randomness is inhomogeneous.     

超导电流密度研究

由 GL超导波函数及 GL第二方程导出了零场下超导电流密度矢量的数学表达式 ,讨论了相关物理意义 ;并由 London第二方程验证了其正确性。     

2 1维5U(2)0￣( )胶球波函数的四级近似

利用截断本征方程方法计算胶球波函数参数比值，得到良好的标度行为。关键词     

Darboux transformation and elementary exact solutions of the Schrödinger equation

Darboux transformation is applied to three classical potentials, namely the harmonic oscillator, effective Coulomb and Morse potentials to generate exactly solvable potentials of elementary form. For every potential, the isospectral families of potentials are constructed. For almost all potentials, a set of normalized discrete spectrum wave functions is given.     

High‐temperature superconductivity and long‐range order in strongly correlated electronic systems

A selective review of the question of how repulsive electron correlations might give rise to off‐diagonal long‐range order (ODLRO) in high‐temperature superconductors is presented. The article makes detailed explanations of the relevance to superconductivity of reduced electronic density matrices and how these can be used to understand whether ODLRO might arise from Coulombic repulsions in strongly correlated electronic systems. Time‐reversed electron pairs on alternant Cuprate and the iron‐based pnictide and chalcogenide lattices may have a weak long‐range attractive tail and much stronger short‐range repulsive Coulomb interaction. The long‐range attractive tail may find its origin in one of the many suggested proposals for high‐T_c superconductivity and thus has an uncertain origin. A phenomenological Hamiltonian is invoked whose model parameters are obtained by fitting to experimental data. A detailed summary is given of the arguments that such interacting electrons can cooperate to produce a superconducting state in which time‐reversed pairs of electrons effectively avoid the repulsive hard‐core of the Coulomb interaction but reside on average in the attractive well of the long‐range potential. Thus, the pairing of electrons itself provides an enhanced screening mechanism. The alternant lattice structure is the key to achieving robust high‐temperature superconductivity with dx²‐y² or sign alternating s‐wave or s± condensate symmetries in cuprates and iron‐based compounds. Some attention is also given to the question first raised by Leggett as to where the Coulombic energy is saved in the superconducting transition in cuprates. A mean‐field‐type model in which the condensate density serves as an order parameter is discussed. Many of the observed trends in the thermal properties of cuprate superconductors are reproduced giving strong support for the proposed model for high‐temperature superconductivity in such strongly correlated electronic systems. © 2015 Wiley Periodicals, Inc.     

Opening the Pandora's jar of molecule‐to‐material conversion in chemical vapor deposition: Insights from theory

First‐principles modeling can be a powerful tool for the understanding and optimization of bottom‐up processes for nanomaterials fabrication, such as chemical vapor deposition (CVD), a key technology for the development of advanced systems and devices. Molecule‐to‐material conversion by CVD involves complex chemical phenomena, which are often obscure and still largely unexplored. A proper modeling would require high level of accuracy, large sized models and should include both temperature effects and statistical sampling of reactive events. By presenting a few selected examples, this perspective surveys such problems and discusses currently available approaches for their solution. Possible strategies for future advances in the field are also highlighted. © 2013 Wiley Periodicals, Inc.     

AMT对青铜文物缓蚀作用理论研究

：5-氨基-2-巯基-1,3,4-噻二唑（AMT）能和青铜器表面铜离子作用生成一种配位型聚合物的保护膜[AMT –Cu (Ⅰ)]n,并将其中的氯离子置换出来,避免了青铜器的进一步腐蚀。为了深入了解AMT的缓蚀作用机理,本文采用密度泛函理论（DFT）和自然键轨道理论（NBO）,在B3LYP/6-31+G（d, p）水平上对AMT中反应活性位点的确定及活性原子所带电荷和杂化形式作了分析,并利用Multiwfn波函数分析了反应前后前线轨道能的变化。结果表明,-SH基中的S原子能与Cu(Ⅱ)形成有效的共价键,而N6原子可与Cu(Ⅱ)离子形成配位键,促使聚合物膜[AMT-Cu(Ⅰ)]n的形成。并且从概念DFT的活性指数（主要为 , , , , ）比较中发现,AMT-Cu(Ⅰ)-H较AMT的亲电性指数增加,有利于形成高聚物膜,而且反应前后AMT构型中的Ｃ、N、S却始终在同一平面,而C-S和C-N键键长和键角均有不同程度的变化。     

瞬子效应在0++胶球的QCD求和规则中的作用

利用包含瞬子效应的QCD求和规则计算了0⁺⁺胶球的质量上限,结果为1.3GeV.还探讨了变动瞬子参量时对QCD求和规则的影响,发现包含瞬子修正的QCD求和规则在瞬子大小为1/3fm时变得很稳定     

（2十1）维SU（2）格点规范场胶球质量的解析计算

从连接图方案出发，计算０胶球质量，得到较好的标度行为．