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.     

Energy levels of a particle in an infinite potential well with identical square-potential barriers

We have evaluated the energy levels of a particle in an infinite potential well containing identical square-potential barriers of equal width and separation, in a symmetric as well as an asymmetric arrangement, as functions of the number and height of the potential barriers. For this purpose we have derived analytical equations for the energy eigenvalues which can be solved with a personal computer. We show plots of the normalized energy levels of particles in potential wells containing up to three identical square-potential barriers with heights varying from zero to infinity. These can be applied to models of inversion and libration of molecules, electronic states in dye molecules, quantum well structures, etc.     

势阱中粒子能级与波函数微扰计算的代数递推公式

利用超位力定理（HVT）和Hellmann-Feynman定理（HFT）,导出了由有精确解的势阱的能级值用微扰法直接计算一维势阱的各级近似能级的普遍代数公式,并导出由能级近似值计算定态波函数近似表达式的代数公式,给出了代数公式具体应用的几个典型一维势阱实例,此法可推广到二维势阱与三维势阱的情形。     

Energy levels of the Schrödinger equation for some rational potentials in two-dimensional space using the inner product technique

The energy levels of a two-dimensional system are calculated for the rational potential,V(x, y; λ, g)=x ²+y ²+λ[x ²/(1+gx ²)+y ²/(1+gy ²)+a _xxx⁴+a _xyx² y ²+a _yyy⁴] using the inner product technique over a wide range of values of the perturbation parameters (g, λ) and for various eigenstates.     

无限深势阱中受击原子的能谱

研究了一维量子阱中受脉冲驻波场作用的原子的量子运动.利用直接微扰法,给出了该系统的一级近似波函数及能谱随时间的演化规律.通过理论分析和数值计算,得出系统共振的条件,当系统的外加驱动频率ΩD与未受微扰时系统的能级跃迁频率ΩT不遵循此条件时,系统能量的时间演化情形类似于一般KAM系统中所发现的经典混沌的量子抑制.而当ΩD与ΩT满足此要求时,则出现能量的量子共振现象.     

无限深势阱中粒子的态密度

对于自由粒子在有限容器中的能态密度,热力学统计教材一般根据半经典量子图像,由驻波条件和德布罗意关系,以动量分立值为基础出发得到;然而根据量子理论,无限深势阱中的粒子存在能量本征态,而非动量本征态.本文以能量本征态为统计对象推导了有限体积中的自由粒子的能态密度,结果与教材一致.但是我们的处理方式显得更为自然.     

冷库节能潜力分析

食品冷冻冷藏属高耗能行业,长期存在着大量不重视能源管理与浪费能源的现象。分别从隔热材料、压缩机能量调节方式、冷凝器系统、油系统以及运行管理等方面,分析了冷库的节能潜力。针对冷库工程设计、工程施工及常规管理工作的技术要求和需要,提出了相应的节能措施。这些措施对冷库企业降低生产成本、节约能耗,具有现实意义。     

A new confinement potential in spherical quantum dots: Modified Gaussian potential

A new confinement potential for spherical quantum dots, called the modified Gaussian potential (MGP), is studied. In the present work, the following problems are investigated within the effective-mass approximation: (i) the one-electron energy spectra, (ii) wave functions, (iii) the problem of existence of a bound electron state, and (iv) the binding energy of center and off-center hydrogenic donor impurities. For zero angular momentum (l=0)$(l=0)$, the new confinement potential is sufficiently flexible to obtain analytically the spectral energy and wave functions. The results obtained from the present work show that (i) the new potential is suitable for predicting the spectral energy and wave functions, and (ii) the geometrical sizes of the quantum dot play the important roles on the energy levels, wave functions, the binding energy, and the existence of a bound electron state.     

Escape rate of an active Brownian particle in a rough potential

We discuss the escape problem with the consideration of both the activity of particles and the roughness of potentials. We derive analytic expressions for the escape rate of an active Brownian particle in two types of rough potentials by employing the effective equilibrium approach and the Zwanzig method. We find that activity enhances the escape rate, but both the oscillating perturbation and the random amplitude hinder escaping.     

Vibrational energy levels of methyl chloride calculated from full dimensional ab initio potential energy surface

The vibrational levels for two isotopic species of methyl chloride have been calculated in the region 0-3500 cm⁻¹ from the ab initio potential energy surface (PES). The isotopic shift of vibrational levels of molecules ¹²CH₃³⁵Cl and ¹²CH₃³⁷Cl has been calculated. The correlation consistent basis sets cc-pVTZ and cc-pVQZ are employed to calculate energy values for 7957 and 3758 points correspondingly from a large domain of the nine-dimensional internal coordinate space. The analytic global PES is fitted with the standard deviation of 4.5 cm⁻¹.     

双原子分子非谐振转波函数和能级

从双原子分子简谐势近似波函数出发,运用微扰理论计算出了双原子分子在非谐振转相互作用下的一级、二级近似能级和一级近似波函数.     

Relativistic bounds states for a neutral particle confined to a parabolic potential induced by noninertial effects

We obtain the solutions of the Dirac equation when the noninertial effects of the Fermi-Walker reference frame break the relativistic Landau-Aharonov-Casher quantization, but they provide bound states in an analogous way to a Dirac neutral particle subject to Tan-Inkson quantum dot potential [W.-C. Tan, J.C. Inkson, Semicond. Sci. Technol. 11 (1996) 1635].     

Effects of an electric field on the confined hydrogen atom in a parabolic potential well

Using the perturbation method, the confined hydrogen atom by a parabolic potential well is investigated. The binding energy of the confined hydrogen atom in a parabolic potential well is calculated as a function of the confined potential radius and as a function of the intensity of an applied electric field. It is shown that the binding energy of the confined hydrogen atom is highly dependent on the confined potential radius and the intensity of an applied electric field.     

Study of liquid crystal phases with a model soft ellipsoid contact potential

We propose a soft ellipsoid contact potential model (SECP) for a pair of identical uniaxial ellipsoidal molecules, considering the configuration dependent energy anisotropy explicitly along with their geometrical aspects. The present model is an extension of the ellipsoid contact potential (ECP), main contribution of which was to determine the correct contact function of the ellipsoidal core. Expressions for intermolecular forces and torques derived analytically from this new model pair interaction potential are presented hereto to make it useful for molecular dynamics simulation study. We also report on some observations of molecular dynamics simulation study to demonstrate the ability of this realistic coarse-grained potential in generating some important liquid crystal phases.     

A singular position-dependent mass particle in an infinite potential well

An unusual singular position-dependent-mass particle in an infinite potential well is considered. The corresponding Hamiltonian is mapped through a point-canonical-transformation and an explicit correspondence between the target Hamiltonian and a Pöschl-Teller type reference Hamiltonian is obtained. New ordering ambiguity parametric setting are suggested.     

带电导体椭球的电势和电荷分布

介绍用椭球坐标系求带电导体椭球所产生的电势和它上面电荷分布的方法,并讨论一些特殊情况.     

Brownian motion of a particle in a double well potential

The frequency dependent mobility of a Brownian particle moving in a double well potential is calculated for different damping parameters and temperatures by means of continued fraction approximations. These results are remarkably well reproduced by a simple memory function ansatz. Applications to the motion of Ag⁺ ions in Ag₃SX(X =I, Br) crystals are indicated.     

Tunneling and energy splitting in an asymmetric double-well potential

An asymmetric double-well potential is considered, assuming that the minima of the wells are quadratic with a frequency ω and the difference of the minima is close to a multiple of ?ω. A WKB wave function is constructed on both sides of the local maximum between the wells, by matching the WKB function to the exact wave functions near the classical turning points. The continuities of the wave function and its first derivative at the local maximum then give the energy-level splitting formula, which not only reproduces the instanton result for a symmetric potential, but also elucidates the appearance of resonances of tunneling in the asymmetric potential.