耦合量子点中空穴基态反键态特性研究

本文采用六带K·P理论计算了耦合量子点在不同耦合距离下空穴基态特性, 探讨了轻重空穴及轨道自旋相互作用对耦合量子点空穴基态反成键态特性的影响. 在考虑多带耦合的情况下, 耦合量子点随着耦合强度的变化, 价带基态能级和激发态能级发生反交叉现象. 同时, 随着耦合距离的增加, 量子点基态轻重空穴波函数的比重发生变化,导致量子点空穴基态波函数从成键态反转成为反成键态. 同时研究发现, 因空穴基态及激发态波函数特性的转变, 电子、空穴的基态及激发态波函数的叠加强度发生的明显变化. 关键词： 耦合量子点 反键态 多带理论 自旋轨道耦合     

等价电子耦合波函数的构造和矩阵元计算

按(U,D)L-LSQ-R耦合格式构造等价电子耦合波函数(这里U(D)是自旋向上(向下)电子的轨道角动量,Q是准旋,R是自旋-准旋交换算符),只需对半满壳层计算耦合波函数,其它电子数耦合波函数可通过准旋升、降算符和自旋-准旋交换算符的作用得到.对p,d,f,g壳层进行了耦合波函数和产生-湮没算符约化矩阵元计算.理论分析和实际计算表明,(U,D)L-LSQ-R耦合格式比一般LS耦合格式更便于计算. 关键词：     

质量和频率均含时的耦合谐振子的严格波函数

通过坐标和动量变换,在去掉系统哈密顿量耦合项的基础上,采用试探函数方法求得了质量和频率均随时间变化且具有耦合的两谐振子的严格波函数. 关键词： 耦合谐振子 去耦合 坐标与动量变换 试探函数     

强耦合SU(3)极限基带波函数的计算

用群论方法给出了IBM4中强耦合SU(3)极限的内禀态波函数,然后用投影方法由内禀态波函数得到了基带波函数.     

2+1维SU(2)格点规范场胶球波函数的六阶近似

改进了耦合集团展开方法,计算六阶2+1维SU(2)格点规范场的胶球波函数的μF0和μF2及相关参数ζ.在计算中,采用空心图作为试探波函数,计算结果在弱耦合区都表现出良好的标度行为.     

链间耦合对极化子非弹性散射性质的影响

基于一维紧束缚的Su-Schreiffer-Heeger模型, 采用非绝热动力学方法, 研究了链间耦合对聚合物中极化子对非弹性散射性质的影响: 激子的产生依赖于链间耦合, 随着耦合强度的增加, 正负极化子对的电子波函数交叠增强, 利于提高激子的产率; 当耦合区域是极化子的宽度时, 正负极化子对波函数的耦合最充分、耦合最强, 电荷跃迁更容易, 激子产率最大. 关键词： 聚合物 极化子 激子     

(np)~3电子组态的波函数

根据泡利不相容原理、费米子所满足的反对称波函数和升降算符的对称性,应用二次量子化的方法,讨论(np)3电子组态在L-S耦合情况下的波函数.     

在辐射俘获过程中(dμ)原子的生成截面

在梯形近似下,导出了(dμ)原子的Bethe-Salpeter方程. 在弱耦合条件下求得了l=0的近似BS波函数. 利用这些波函数计算了(dμ)原子在辐射俘获过程中的生成截面.     

格点规范场的真空波函数和真空能量的无规相近似计算

采用无规相近似(RPA)耦合集团展开方法,计算出2?+1维SU(2?)格点规范场的三到六阶真空波函数和真空能量.在计算中,用空心图构成试探波函数,得到的三到六阶真空波函数的计算结果在弱耦合区1g²〉1.2都表现出良好的标度行为.与较早的计算结果比较,采用RPA方法计算的真空波函数比采用非RPA方法计算的结果的标度行为有大幅度的改善.采用RPA方法计算的真空能量比采用非RPA方法计算的真空能量略低,这表明此方法是成功的方法.     

晶体场理论引论(六)

运用Wigner-Eckart定理可以把晶体场哈密顿算符表示为由角动量算符组成的等效算符,利用等效算符计算具有特定的J的耦合波函数之间的晶体场矩阵元特别方便,因为等效算符作用于耦合波函数的角度部份,不需要回到单电子波函数。     

Periodic Wave,Solitary Wave and Compacton Solutions of a Nonlinear Wave Equation with Degenerate Dispersion

In this letter, we investigate traveling wave solutions of a nonlinear wave equation with degenerate dispersion. The phase portraits of corresponding traveling wave system are given under different parametric conditions. Some periodic wave and smooth solitary wave solutions of the equation are obtained. Moreover, we find some new hyperbolic function compactons instead of well-known trigonometric function compactons by analyzing nilpotent points.     

Interference, Reduced Action, and Trajectories

Instead of investigating the interference between two stationary, rectilinear wave functions in a trajectory representation by examining the trajectories of the two rectilinear wave functions individually, we examine a dichromatic wave function that is synthesized from the two interfering wave functions. The physics of interference is contained in the reduced action for the dichromatic wave function. As this reduced action is a generator of the motion for the dichromatic wave function, it determines the dichromatic wave function’s trajectory. The quantum effective mass renders insight into the behavior of the trajectory. The trajectory in turn renders insight into quantum nonlocality.     

Statistical mechanics and the ontological interpretation

To complete our ontological interpretation of quantum theory we have to conclude a treatment of quantum statistical mechanics. The basic concepts in the ontological approach are the particle and the wave function. The density matrix cannot play a fundamental role here. Therefore quantum statistical mechanics will require a further statistical distribution over wave functions in addition to the distribution of particles that have a specified wave function. Ultimately the wave function of the universe will he required, but we show that if the universe in not in thermodynamic equilibrium then it can he treated in terms of weakly interacting large scale constituents that are very nearly independent of each other. In this way we obtain the same results as those of the usual approach within the framework of the ontological interpretation.Professor D. Bohm died on 28 October 1992, shortly after this paper was completed.     

单晶固体中正电子波函数的计算

介绍了正电子波函数计算的两种基本方法——有限差分方法(FDM)与平面波方法(PW).并以单晶Si为例,计算出正电子的波函数,从而计算出正电子在Si中的密度分布,由该正电子密度,进一步计算出了正电子在Si中的体寿命.计算结果与我们最近的实验结果(220 ps)符合得很好.最后,探讨了这两种方法各自的优缺点.     

关于F19,Ne20相干能级的结构

在前一篇文章中提出了二个核子空间结构对称的波函数。本文又提出了三个核子和四个核子空间结构全对称的波函数。将本文的波函数与Flowers和Redlich用壳模型计算的相应的波函数作了比较,结果发现这些波函数很相一致,波函数的重迭积分的平方都在80％以上。     

On the orbital dependence of compact,weight-selected configuration interaction and coupled-cluster wave functions

We recently reported that very compact coupled-cluster wave functions may be generated by selecting the most important configurations, by weight, from the full coupled-cluster wave function. Here, we consider how the choice of orbitals may affect these wave functions in the case of the symmetric dissociation of H₂O. We employ unrestricted Hartree–Fock and complete-active-space self-consistent-field orbitals, as well as natural orbitals derived from a coupled-cluster singles and doubles wave function. For a given accuracy, some choices of orbitals can reduce the size of configuration interaction wave functions, but they have little effect on the weight-selected coupled-cluster wave functions.     

如何“写”出平面简谐波的波函数

介绍了大学物理课堂中讲授平面简谐波波函数的一种教学设计,其核心是在课堂教学中归纳总结出平面简谐波波函数的一般形式,为学生提供处理波函数问题的简单方法,该方法只要给定任意点的振动方程及波的传播方向,就可依据一般形式"写"出平面简谐波的波函数.     

金属表面的相关波函数理论(Ⅰ)——理论框架

本文给出具有长程库伦作用的非均匀体系(金属表面)的相关波函数的理论框架。表面的波函数是两部份的乘积,一部份是在满足系统空间对称性的变分势下的单电子波函数组成的行列式;另一部份是Feenberg-Jastrow关联因子。本文给出在“jellium”模型下的金属表面能量公式以及在不考虑Feenberg-Jastrow关联因子下(“无相互作用”情形)的电子密度分布公式。 关键词：     

Solutions,bifurcations and chaos of the nonlinear Schrodinger equation with weak damping

Using the wave packet theory,we obtain all the solutions of the weakly damped nonlinear Schrodinger equation.These solutions are the static solution,and solutions of planar wave,solitary wave,shock wave and elliptic function wave and chaos.The bifurcation phenomenon exists in both steady and non-steady solutions.The chaotic and periodic motions can coexist in a certain parametric space region.