Analytical Solutions of a Model for Brownian Motion in the Double Well Potential

In this paper, the analytical solutions of Schr¨odinger equation for Brownian motion in a double well potential are acquired by the homotopy analysis method and the Adomian decomposition method. Double well potential for Brownian motion is always used to obtain the solutions of Fokker–Planck equation known as the Klein–Kramers equation, which is suitable for separation and additive Hamiltonians. In essence, we could study the random motion of Brownian particles by solving Schr¨odinger equation. The analytical results obtained from the two different methods agree with each other well. The double well potential is affected by two parameters, which are analyzed and discussed in details with the aid of graphical illustrations. According to the final results, the shapes of the double well potential have significant influence on the probability density function.     

Multiple Reflections for Classical Particles Moving under the Influence of a Time-Dependent Potential Well

We study the dynamics of classical particles confined in a time-dependent potential well. The dynamics of each particle is described by a two-dimensional nonlinear discrete mapping for the variables energy en and phase ϕn of the periodic moving well. We obtain the phase space and show that it contains periodic islands, chaotic sea, and invariant spanning curves. We find the elliptic and hyperbolic fixed points and discuss a numerical method to obtain them. We study the dispersion of the initial conditions after a single iteration. This study allows finding regions where multiple reflections occur. Multiple reflections happen when a particle does not have enough energy to exit the potential well and is trapped inside it, suffering several reflections until it has enough energy to exit. We also show deformations in regions with multiple reflection, but the area remains constant when we change the control parameter NC. Finally, we show some structures that appear in the e0e1 plane by using density plots.     

抛物量子阱中束缚极化子的极化势和结合能

利用改进的Lee-Low-Pines(LLP)方法,用变分法计算了无限深抛物量子阱中同时考虑与体纵光学声子和界面纵光学声子相互作用的束缚极化子的极化势和结合能.数值计算得出:阱宽较大时极化势很小,阱宽较小时极化势较大,所以对于较窄的抛物阱必须考虑极化势.对于给定阱宽的抛物阱,随着远离阱中心极化势迅速减小,当到达阱的界面附近极化势又开始增大.阱宽较小时,束缚极化子的结合能随着阱宽L的增大而急剧减小;阱宽较大时,结合能减小的非常缓慢,最后接近体材料中的三维值.     

无限深势阱下杂质量子点的能级计算

在有效质量近似下,垂直方向采用无限深势阱限制势,在x-y平面上,量子点内采用抛物势近似,在量子点边界处采用与实际情况更接近的无限深势阱.在中心杂质电荷为ηe时,利用波函数近似,得到基态和低激发态的能级,与x-y平面均采用抛物势时得到的能级进行了比较.计算发现在量子点真实半径比较小时,电子的基态和低激发态受其影响很大,而相应的能级随量子点的半径逐步增大.在量子点半径大于5倍有效玻尔半径时,能级受其影响已经变得很弱.并且,随着磁场的变化,量子点半径对基态和第一激发态的能级差的影响也很大.最后我们计算了杂质电子的基态束缚能并讨论了声子对其影响.     

基态TiH2分子的结构与分析势能函数

用密度泛函理论的B3lyp方法,Ti原子采用相对论有效实势(LanL2DZ)收缩价基函数,氢原子采用6-311 g**全电子基函数,对TiH2体系的结构进行优化计算.得到TiH2分子最稳态为C2v构型,电子状态为(C2v(X)3A2),平衡核间距,RTi-H=0.1789 nm,键角∠HTiH =123.365°,离解能:De=5.54216 eV.基态简正振动频υ(A1)=485.4150 cm-1,υ(B2)=1507.6533 cm-1,υ(A1)=1580.2361 cm-1.由微观过程的可逆性原理分析了分子的可能离解极限,并用多体项展式理论方法分别导出基态TiH2分子的势能函数,其等值势能面图准确地再现了TiH2分子的结构特征和离解能.由此讨论了TiH2分子反应的势能面静态特征.     

双电子平面量子点基态能量的计算

由于库仑作用,目前的研究还得不到双电子平面量子点基态波函数和基态能量的精确解析解.分别利用微扰法、精确对角化方法和变分法,计算双电子平面量子点的基态能量,与早期的无约束哈特利-福克研究结果比较,发现三参量的变分波函数是基态的极好表征.且能对多电子平面量子点的基态描述提供参考.     

在磁场作用下含有杂质的半导体量子环中电子的能级

由于量子环特殊的结构,我们尝试过不少方法,发现一般传统方法很难求解薛定谔方程,故很难求出它的波函数和能级。国内外很多学者从事这方面的研究,但发表的文献非常少。有必要寻找一些新的方法从事这方面的研究工作,本文中采用了B样条函数近似拟合波函数的方法,计算了一个在谐振子束缚势和磁场作用下含有杂质的二维量子环中的电子能级。研究了电子能级随磁场强度、束缚势的变化关系以及电子能级与量子环半径的关系。我们发现电子能级随磁场强度、束缚势强度的增强而增强;每一个能级都有一个最小值在特定的量子环半径上,并且随着能级的增加,最小值的位置向半径大的方向偏移。     

Reconstructing Equation of State for Dark Energy in Double Complex Symmetric Gravitational Theory

We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory (DCSGT). The universe we live in is taken as the real part of the whole spacetime M4C(J), which is double complex. By introducing the spatially flat FRW metric, not only the double Friedmann equations but also the two constraint conditions pJ = 0 and J2 = 1 are obtained. Furthermore, using parametric DL(z) ansatz, we reconstruct the ω′(z) and V(φ) for dark energy from real observational data. We find that in the two cases of J = i, pJ = 0, and J = ε, pJ ≠ 0, the corresponding equations of state ω′(z) remain close to -1 at present (z = 0) and change from below -1 to above -1. The results illustrate that the whole spacetime, i.e. the double complex spacetime M4C(J), may be either ordinary complex (J = i, pJ = 0) or hyperbolic complex (J = ε, pJ ≠ 0). And the fate of the universe would be Big Rip in the future.     

用能量自洽法研究双原子分子离子XY+的五阶解析势能函数

将用于研究双原子分子离子XY⁺解析势能函数的能量自洽法(energy consistent method for ion XY⁺,ECMI)从三阶推广到五阶,并将双原子分子离子XY⁺的三阶解析势能函数ECMI(3)推广为五阶的解析势能函数ECMI(5),研究CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的解析势能函数.结果表明,CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的新解析势能函数ECMI(5)势与基于实验的RKR数据符合得很好,优于常用的中性双原子分子势能函数Morse势、HMS势和双原子分子离子XY⁺的ECMI(3)势在这两个离子状态下的表现.不仅如此,ECMI势给出了对原子分子碰撞等诸多研究非常重要的正确理解极限和全程势能数据.     

Determinant of Wave Operator as a Measure for Resonance and Bound States in One-Dimensional Potential Scattering System

The determinant of the wave operator or its transposed operator (source operator) works as a measure for resonance and bound states in one-dimensional potential scattering system. This fact is based on an identity proved here: the determinant of the wave or source operator equals to the transmission coefficient, which represents the field amplitude in the forward side of the scatterer. Utilizing this measure, resonance and bound states in one-dimensional system are properly assigned without solving wave equation. In future, local enhancement of optical near-field in three-dimensional system, i.e., local plasmon resonance will be treated, generalizing the present method.     

Scattering in Terms of Bohmian Conditional Wave Functions for Scenarios with Non-Commuting Energy and Momentum Operators

Without access to the full quantum state, modeling quantum transport in mesoscopic systems requires dealing with a limited number of degrees of freedom. In this work, we analyze the possibility of modeling the perturbation induced by non-simulated degrees of freedom on the simulated ones as a transition between single-particle pure states. First, we show that Bohmian conditional wave functions (BCWFs) allow for a rigorous discussion of the dynamics of electrons inside open quantum systems in terms of single-particle time-dependent pure states, either under Markovian or non-Markovian conditions. Second, we discuss the practical application of the method for modeling light–matter interaction phenomena in a resonant tunneling device, where a single photon interacts with a single electron. Third, we emphasize the importance of interpreting such a scattering mechanism as a transition between initial and final single-particle BCWF with well-defined central energies (rather than with well-defined central momenta).     

纤锌矿氮化镓基阶梯量子阱中界面声子的色散谱与散射率

本文理论分析了纤锌矿GaN-基阶梯量子阱中的电子-界面光学声子散射性质。阶梯量子阱中的解析的界面声子态及Frhlich电子-声子相互作用哈密顿被导出了。在考虑强内建电场效应及能带的非抛物性特性的情况下,阶梯量子阱结构精确解析的电子本征态也被给出了。以一个四层纤锌矿AlN-基阶梯量子阱为例进行了数值计算。结果发现,系统中存在四支界面光学声子模,这一观察明显不同于对称的GaN/AlN单量子阱与双量子阱的情况。这一差异被归结为阶梯量子结构的非对称性。GaN-基阶梯量子阱中的子带内散射率与子带间散射率比GaAs-基阶梯量子阱的结果大一个数量级,这被归因于GaN-基晶体大的电子-声子耦合常数。GaN-基阶梯量子阱的子带内散射率表现出与GaAs-基体系类似的结构参数依赖关系,但两类体系的子带间散射率对阶梯量子阱结构参数依赖则明显不同,这被归结为GaN-基阶梯量子阱结构中强的内建电场效应及带的非抛物性。结果还表明,高频界面声子模相对于低频界面声子模,对散射率的贡献更大。     

Energy levels of a particle confined in a super-circular box

We find the energy levels of a free particle confined in a two dimensional infinite potential well having super-circular boundary (|x|ⁿ+|y|ⁿ=aⁿ where n is a rational number and a is a positive real number) by perturbing about the equivalent circle (n=2). The ground state energies are very accurate over a wide range of n and can be improved further by introducing a phenomenological constant determined from the knowledge of exact results available for diamond (n=1). For excited states, we find that the shape effect can cause parametric resonance which can lead to singlet-triplet crossing.