Splitting of Spectra in Anharmonic Oscillators Described by Kratzer Potential Function

A perturbation theory model that describes splitting of the spectra in highly symmetrical molecular species in electrostatic field is proposed. An anahrmonic model of a two-dimensional oscillator having Kratzer potential energy functionis used to model the molecular species and to represent the unperturbed system. A selection rule for the radial quantum number of the oscillator is derived. The eigenfunctions of a two-dimensional anharmonic oscillator in cylindrical coordinates are used for the matrix elements representing the probability for energy transitions in dipole approximation to be calculated. Several forms of perturbation operators are proposed to model the interactionbetween the polyatomic molecular species and an electrostatic field. It is found that the degeneracy is removed in the presence of the electric field and spectral splitting occurs. Anharmonic approximation for the unperturbed system is more accurate and reliable representation of a real polyatomic molecular species.     

Anharmonic Oscillator and Double-Well Potential: Approximating Eigenfunctions

A simple uniform approximation of the logarithmic derivative of the ground state eigenfunction for both the quantum-mechanical anharmonic oscillator and the double-well potential given by V=m ² x ²+g x ⁴ at arbitrary g ≥ 0 for m ²>0 and m ²<0, respectively, is presented. It is shown that if this approximation is taken as unperturbed problem it leads to an extremely fast convergent perturbation theory Mathematics Subject Classifications(2000) 34L40, 34B08, 41A99     

Investigation of Fermions in Non-commutative Space by Considering Kratzer Potential

The two-dimensional Dirac equation for a fermion moving under Kratzer potential in the presence of an external magnetic field is analytically being solved for the energy eigenvalues and eigenfunctions. Subsequently, we have obtained the Wigner function corresponding to the eigenfunctions.     

Solution of the Dirac Equation for Ring-Shaped Modified Kratzer Potential

We propose a new exactly solvable potential which is Formed by modified Kratzer potential plus a new ring-shaped potential η cot^2 θ/r^2 The solutions of the Dirac equation with equal scalar and vector ring-shaped modified Kratzer potential are found by using the Nikiforov-Uvarov method. The nonrelativistic limit of the energy spectrum has been discussed.     

Solution of the Dirac Equation for Ring-Shaped Modified Kratzer Potential

We propose a new exactly solvable potential which is formed by modified Kratzer potential plus a new ring-shaped potential η cot2θ/r2. The solutions of the Dirac equation with equal scalar and vector ring-shaped modified Kratzer potential are found by using the Nikiforov-Uvarov method. The nonrelativistic limit of the energy spectrum has been discussed.     

六次非简谐振子的多尺度微扰理论

应用多尺度微扰理论, 对于弱耦合常数的六次非简谐振子得到了其运动方程的经典和量子情况下的一阶解. 与Taylor级数解不同的是, 无论是在经典和量子解中频率移动出现在各阶表达式中, 因此多尺度微扰理论是优于Taylor级数解的一种处理弱耦合常数非简谐振动的近似方法.     

广义非简谐振子的多尺度微扰理论

应用多尺度微扰理论到广义非简谐振子, 得到了一阶经典和量子微扰解. 特别是 我们的量子解在极限条件下能方便地转变为经典解, 并且坐标和动量算符的对易 关系的简化十分自然. 与Taylor级数解相比较, 无论是在经典还是在量子解 中频率移动都出现在各阶振动表达式中, 所以多尺度微扰解是弱耦合非简谐振动的较好解法.     

Calculation of Gaussian Perturbation on Two Harmonic Oscillators by Virtue of Entangled State Representation

The exact expressions of Gaussian-perturbation matrix elements in one- and two-mode Fock states are derived by virtue of the technique of integration within an ordered product of operators and the entangled state representation. It turns out that the matrix elements are just related to Gegenbauer polynomial and Hypergeometric function respectively. The 1st- and 2nd-order corrections to the energy levels and the 1st-order correction to wave functions of harmonic oscillator are deduced.     

Computer Simulation Study of Thermal Conduction in 1D Chains of Anharmonic Oscillators

In this work thermal conduction in one-dimensional(1D) chains of anharmonic oscillators are studied using computer simulation.The temperature profile,heat flux and thermal conductivity are investigated for chain length N = 100,200,400,800 and 1600.In the computer simulation anharmonicity is introduced due to Fermi-Pasta-Ulam-β(FPU-β) model.For substrate interaction,an onsite potential due to Frenkel-Kontorova(FK) model has been used.Numerical simulations demonstrate that temperature gradient scales behave as N-1 linearly with the relation J = 0.1765/N.For the thermal conductivity K,KN to N obey the linear relation of the type KN = 0.8805N.It is shown that thermal transport is dependent on phonon-phonon interaction as well as phonon-lattice interaction.The thermal conductivity increases linearly with increase inanharmonicity and predicts relation κ = 0.133 + 0.804β.It is also concluded that for higher value of the strength of the onsite potential system tends to a thermal insulator.     

Wigner函数的性质及其在一维无限深势阱和一维谐振子中的应用

首先介绍了Wigner函数的基本性质以及以Wigner函数为基础的相空间定态微扰理论,然后将其应用到一维无限深势阱和谐振子。 推导出一维无限深势阱所对应的Wigner函数,而且发现了存在于其纯态Wigner函数中奇特的压缩效应, 并利用不确定性关系给予了解释。同时计算出一维无限深势阱和谐振子在微扰的作用下,相应Wigner函数和能级的修正。 In this article, the qualities of Wigner function and the corresponding stationary perturbation theory are introduced and applied to one dimensional infinite potential well and one dimensional harmonic oscillator, and then the particular Wigner function of one dimensional infinite potential well is specified and a special constriction effect in its pure state Wigner function is discovered, to which, simultaneously, a detailed and reasonable explanation is elaborated from the perspective of uncertainty principle. Ultimately, the amendment of Wigner function and energy of one dimensional infinite potential well and one dimensional harmonic oscillator under perturbation are calculated according to stationary phase space perturbation theory.     

Effect of hydrostatic pressure on diamagnetic susceptibility of hydrogenic donor impurity in core/shell/shell spherical quantum dot with Kratzer confining potential

Dependencies of diamagnetic susceptibility ${\chi }_{dia}$ on parameter $r_0$ for different values of hydrostatic pressure for 1s state.Dependence of diamagnetic susceptibility ${\chi }_{dia}$ on hydrostatic pressure $P$ for different values of $r_0$ for 1s state.

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Klein Gordon Oscillators in Commutative and Noncommutative Phase Space with Psudoharmonic Potential in the Presence and Absence Magnetic Field

We study the Klein-Gordon oscillator in commutative, noncommutative space, and phase space with psudoharmonic potential under magnetic field hence the other choice is studying the Klein-Gordon equation oscillator in the absence of magnetic field. In this work, we obtain energy spectrum and wave function in different situations by NU method so we show our results in tables.     

硫化锂分子的分析势能函数和光谱

应用密度泛函理论的B3LYP方法和6-311++g（d,p）基组,研究Li₂、LiS和Li₂S分子的基态构型.结果表明它们的基电子态分别为X¹Σ_g⁺、X²Π和X¹Σ_g⁺.通过非线性曲线拟合,得到基态LiS和Li₂分子的4参数Murrell-Sorbie分析势能函数,计算它们的光谱参数和力常数.基于多体项展式理论得到了基态Li₂S分子的单重态势能面的分析函数.利用得到的分析势能函数重构基态单重Li₂S分子的旋转图、伸缩图和旋转伸缩图,准确地再现了Li₂S分子的静态特征,如平衡结构,最低能量,合理反应通道.从等值势能面图看出,反应Li+S+Li→Li₂S是一个无阈值反应.S原子攻击Li₂分子的反应通道上,有一个过渡态.Li原子攻击LiS分子通道上也有一个过渡态.     

Klein Gordon Oscillators in Commutative and Noncommutative Phase Space with Psudoharmonic Potential in the Presence and Absence Magnetic Field

We study the Klein-Gordon oscillator in commutative, noncommutative space, and phase space with psudoharmonic potential under magnetic field hence the other choice is studying the Klein-Gordon equation oscillator in the absence of magnetic field. In this work, we obtain energy spectrum and wave function in different situations by NU method so we show our results in tables.     

均匀磁场中三维各向同性谐振子微扰矩阵元的普遍表达式

根据Laguerre多项式的积分公式,在考虑了哈密顿量中正比于B~2项影响的情况下,导出了均匀磁场中三维各向同性谐振子微扰矩阵元的普遍表达式,并指出n=3能级的简并度完全解除．     

Supersymmetry and Shape Invariance of Hartmann Potential and Ring-Shaped Oscillator Potential in the γ and θ Dimensions of Spherical Polar Coordinates

This article shows that in spherical polar coordinates, some noncentral separable potentials have super-symmetry and shape invariance in the r and θ dimensions, we choose Hartmann potential and ring-shaped oscillator astwo important examples, thus in principle the energy eigenvalues and energy eigenfunctions of such the potentials in ther and θ dimensions can be obtained by the method of supersymmetric quantum mechanics. Here we use an alternativemethod to get the required results.     

Chaotic Behavior of a Brownian Particle in a Periodic Potential

The classical deterministic dynamics of a Brownian particle with a time-dependent periodic perturbation in a spatially periodic potential is investigated. We have constructed a perturbed chaotic solution near the heteroclinic orbit of the nonlinear dynamics system by using the Constant-Variation method. Theoretical analysis and numerical result show that the motion of the Brownian particle is a kind of chaotic motion. The corresponding chaotic region in parameter space is obtained analytically and numerically.     

Chaotic Behavior of a Brownian Particle in a Periodic Potential

The classical deterministic dynamics of a Brownian particle with a time-dependent periodic perturbation in a spatially periodic potential is investigated. We have constructed a perturbed chaotic solution near the heteroclinic orbit of the nonlinear dynamics system by using the Constant-Variation method. Theoretical analysis and numerical result show that the motion of the Brownian particle is a kind of chaotic motion. The corresponding chaotic region in parameter space is obtained analytically and numerically.     

关于最弱受约束电子势模型理论中势函数物理意义的讨论

从屏蔽、贯穿和极化作用考虑,对最弱受约束电子势模型理论（简称WBEPM理论）的势函数进行了讨论。通过一系推导、论证,得出WBEPM理论的有效势的物理意义为：势函数中的第一项表示最弱受约束电子在有效核电荷＋Z′e中心场中的势能;第二项代表最弱受约束电子对非最弱受约束电子和核组成的“实”的极化作用所引起的偶极子场中的势能。     

Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green's Function Method

We report on the calculation of electric field gradients (EFGs) of MgF₂, MnF₂, CoF₂, NiF₂ and ZnF₂. EFGs were calculated by the full potential Korringa–Kohn–Rostoker (KKR) Green's function method in the framework of the density functional theory. While EFG calculation of these fluorides are rather difficult in the muffin-tin-potential model, due to its sensitivity to the muffin-tin radius, no difficulties arise in the present full potential treatments. EFGs calculated by this method well reproduce experimental data.