用参数微扰法求解非线性谐振子问题

用参数微扰法求解了一维非线性谐振子及二维非线性耦合谐振子的一级近似本征能量.计算表明,参数微扰法的基态和激发态结果比相应的无参数微扰法的一级近似甚至多级近似结果精度有显著提高.     

磁场中三维各向异性谐振子哈密顿量的对角化

当三维各向异性谐振子处在一个任意方向的磁场中后,谐振子之间出现耦合.这些耦合谐振子的海森伯运动方程能够写成类似于薛定谔方程的形式.通过一定的变换可以使海森伯运动方程解耦合,利用这些结果也可以使哈密顿量对角化,进而得到系统的能量本征值和体系的本征态.同时给出了坐标和动量的矩阵元以及量子涨落.     

利用二次型求解n模耦合谐振子能量本征值精确解

利用二次型理论构造一个幺正矩阵进行坐标和动量变换,把n模动量耦合谐振子体系的哈密顿量化为标准的二次型,进而得到n模动量耦合谐振子体系的能量本征值.对n模坐标耦合的情况也进行了类似求解,并提供了解决该类问题的一般数学方法.     

二维耦合非线性谐振子的近似求解

利用自洽平均值方法计算二维耦合非线性谐振子的能量本征值,然后将基态能量本征值的计算结果与微扰法的计算结果进行比较,其结果是非常接近的.     

多维耦合受迫量子谐振子的普遍解

运用广义线性量子变换的普遍理论求解多维耦合受迫量子谐振子，给出了系统演化算符的矩阵元、波函数、力学量期望值和配分函数的严格表达式. 关键词： 多维耦合受迫量子谐振子 演化算符矩阵元 配分函数     

一个描写谐振动的态──相干态

在量子力学中,谐振子常用能量本征态描述其所处的状态。但是,能量本征态只反映了谐振动一个方面的特征,即能量或振幅,而对振动的位相特征却没有涉及。如果有两个谐振子,它们在经典描写下有相同的频率和振幅,但有不同的初位相,那么在量子力学中,这两个振子的运动状态怎样区别呢? 显然,只用能量本征态是不能反映运动状态的全部特征的。而在量子力学中讨论谐振子、光场等状态时,如果用相干态来描述,不但有比较直观的经典类比,而且在很多问题里也使计算更为简化。1.谐振子的能量本征态; 由谐振子的哈密顿求解能量算符的本征方程,得到本征值和本…     

Murrell-Sorbie势分子体系振-转能级结构

对双原子分子体系内部相互作用势作了物理分析与比较,引用Murrell-Sorbie势.然后应用泰勒微扰理论.将M-S势函数泰勒展开,并取至4次方项,建立了相应的定态薛定谔方程.然后用三维谐振子势能量表象的径向矩阵对角元的简要形式,简易有效地求得一级微扰能量,进而获得双原子分子体系振-转能级的解析形式.其某些低能级和光谱的理论值与实验结果相符.     

两个耦合谐振子体系能量本征值和本征函数的三种求解方法

本将以耦合项为ｍωｘ１ｘ２＋１／ｍｐ１ｐ２的两个谐振子体系为例，通过坐标、动量变换，占有数表象中的矩阵变换，占有数表象中的矩阵变换和幺正算符变换，给出了求解耦合体系能量本征值和本征函数的三种不同方法。这些方法可适用于各种耦合谐振子体系问题。     

用阶梯算符研究谐振子能量及相干态问题

谐振子是量子力学中最基本也是十分典型和重要的问题,而在坐标表象中利用薛定谔方程的求解过程比较复杂.本文从两个无量纲的阶梯算符出发巧妙的推导出谐振子能量的本征值和本征矢,进而借用平移算符求解出谐振子的相干态.计算表明相干态表象的基矢是过完备的,同时在相干态中,坐标及其动量具有最小的不确定性.     

谐振子任意次幂坐标算符矩阵元的一种计算方法

利用相干态和正规乘积对谐振子任意次幂坐标算符X^1矩阵元进行了讨论,导出了计算X^1矩阵元的一般公式,其结果与《大学物理》发表的两篇文章一致,为处理谐振子的微扰问题提供了一种新的方法。     

关于线性阻尼振子第一积分的研究

通过引入一维线性阻尼振子基本积分来构造其他第一积分, 包括不含时的积分. 将这种方法推广到多维情形, 构造二维和n维线性阻尼振子不同形式的第一积分; 证明不同类型的二维线性阻尼振子都存在三个独立的不含时的第一积分, n维线性阻尼振子存在2n-1个独立的不含时的第一积分. 利用变量变换将线性阻尼振子的第一积分变换成简谐振子形式的第一积分. 关键词： 线性阻尼振子 第一积分 基本积分 简谐振子     

Calculation of vibrational matrix elements of the CO2 molecule in the formalism of polynomials of the quantum numbers

The vibrational energies and the matrix elements of the electric dipole moment function and the rotation function are calculated for an arbitrary linear polyatomic molecule in the first order of perturbation theory using the formalism of polynomials of quantum numbers. The formulas obtained are tested for the example of the CO₂ molecule. The experimental data available at present are briefly analyzed. It is shown that the calculated matrix elements are in good agreement with the corresponding experimental data even in the first order of the theory.     

线性三原子分子振动的Lagrange函数和Hamilton函数

本文以线性耦合振子为模型,导出了三种不同坐标变量表示下线性对称三原子分子的振动微分方程,利用分析力学逆问题理论和方法,构造出了五种对应的Lagrange函数和Hamilton函数,其中有些是新的结果.     

Multi-instantons and exact results IV: Path integral formalism

This is the fourth paper in a series devoted to the large-order properties of anharmonic oscillators. We attempt to draw a connection of anharmonic oscillators to field theory, by investigating the partition function in the path integral representation around both the Gaussian saddle point, which determines the perturbative expansion of the eigenvalues, as well as the nontrivial instanton saddle point. The value of the classical action at the saddle point is the instanton action which determines the large-order properties of perturbation theory by a dispersion relation. In order to treat the perturbations about the instanton, one has to take into account the continuous symmetries broken by the instanton solution because they lead to zero-modes of the fluctuation operator of the instanton configuration. The problem is solved by changing variables in the path integral, taking the instanton parameters as integration variables (collective coordinates). The functional determinant (Faddeev–Popov determinant) of the change of variables implies nontrivial modifications of the one-loop and higher-loop corrections about the instanton configuration. These are evaluated and compared to exact WKB calculations. A specific cancellation mechanism for the first perturbation about the instanton, which has been conjectured for the sextic oscillator based on a nonperturbative generalized Bohr–Sommerfeld quantization condition, is verified by an analytic Feynman diagram calculation.     

内开槽螺纹回旋行波管线性理论研究

基于耦合波理论，运用阻抗微扰法得到了内开槽螺纹波导的色散方程及耦合条件，并从相对论电子运动方程入手得到了自洽非线性方程组，通过一阶线性近似导出了注-波互作用线性关系及色散方程.运用数值计算及3维粒子模拟软件冷腔分析对该波导冷腔色散特性及注-波互作用色散特性进行了研究. 关键词： 内开槽螺纹波导 阻抗微扰 线性理论 自洽非线性方程组     

线型分子的电子能级之Λ分裂的新解释

认为电子态能级发生Λ分裂虽然是角动量引起的,但不是耦合而是运动牵连作用的结果.从这一认识出发,利用欧拉方程和拉格朗日方程分别得到了包含Λ分裂的分子转动哈密顿函数和哈密顿算符,所得结果与Van.Vleck的著名结论完全一致 关键词： Λ分裂 线型分子 欧拉方程 哈密顿算符     

A theory of magneto-optical rotation in diamagnetic molecules of low symmetry

A quantum-mechanical theory for the Faraday effect in polyatomic molecules is developed along the lines of the general theory on natural optical rotation presented by Rosenfeld, Condon, et al.

The stationary perturbation of a magnetic field and the time-dependent perturbation of a light wave are treated simultaneously by means of a second-order time-dependent perturbation theory. The treatment is restricted to molecules having non-degenerate wavefunctions and zero spin. The moment of a single molecule, in the presence of a magnetic field and a light wave, is calculated in Part I. In Part II the average electric and magnetic moments per molecule are used in macroscopic optical equations to determine the Verdet constant, which is shown to be non-vanishing for the molecules under consideration. A discussion of the results will be given subsequently, in Part III of this work.     

Multidimensional WKB Approximation for Tunneling Along Curved Escape Paths

Asymptotics of the perturbation series for the ground state energy of the coupled anharmonic oscillators for the positive coupling constant is related to the lifetime of the quasistationary states for the negative coupling constant. The latter is determined by means of the multidimensional WKB approximation for tunneling along curved escape paths. General method for obtaining such approximation is described. The cartesian coordinates (x,y) are choosen in such a way that the x-axis has the direction of the probability flux at large distances from the well. The WKB wave function is then obtained by the simultaneous expansion of the wave function in the coordinate y and the parameter γ determining the curvature of the escape path. It is argued, both physically and mathematically, that these two expansions are mutually consistent. Several simplifications in the integrations of equations are pointed out. It is shown that to calculate outgoing probability flux it is not necessary to deal with inadequacy of the WKB approximation at the classical turning point. The WKB formulas for the large-order behavior of the perturbation series are compared with numerical results and an excellent agreement between the two is found.     

Elementary sequential spectral line and statistical properties of the thermal reservoir of free polyatomic molecules

The formation of vibronic spectra of free polyatomic molecules is studied by taking the concept of sequences as constituent elements of vibronic bands. Statistical properties of the thermal reservoir of oscillators, which randomly perturbs optically active transitions in a polyatomic molecule, are considered. The spectral shape, position, and width of the elementary sequential lines (ESL) are determined. It is shown that the ESLs have a Lorentzian shape if the perturbations are short-term and the pulse shape is symmetric about its origin. The position of the ESLs depends on the total vibrational energy of the thermal reservoir of oscillators in the initial electronic state of a molecule. The analysis of the statistical properties of the thermal reservoir of polyatomic molecules shows that one should distinguish between the ESL linewidth of individual molecules and the ESL linewidth averaged over the entire thermal ensemble. It is shown that individual molecules of the thermal ensemble that have different total vibrational energies are characterized by different widths of the ESLs. Consequently, the exchange and redistribution dynamics of the vibrational energy stored in the initial electronic state should manifest itself in the difference between the single-molecule ESL widths measured at different instants in time.     

VPT2+K spectroscopic constants and matrix elements of the transformed vibrational Hamiltonian of a polyatomic molecule with resonances using Van Vleck perturbation theory

Vibrational levels of polyatomic molecules are analysed with Van Vleck perturbation theory to connect experimental energy levels to computed molecular potential energy surfaces. Vibrational matrix elements are calculated from a quartic potential function via second-order Van Vleck perturbation theory, a procedure that treats both weak and strong interactions among vibrational states by approximately block-diagonalising the vibrational Hamiltonian. A clear and complete derivation of anharmonic and resonance constants as well as general expressions for both on- and off-diagonal matrix elements of the transformed Hamiltonian is presented. The equations are written in partial fraction form and as a constant multiplied by a harmonic oscillator matrix element to facilitate removing the effect of strongly interacting resonant states both in analytical formulae and in computer code. The derived equations are validated numerically, and results for the isotopomers of formaldehyde (H₂CO, HDCO, D₂CO) are included. The implications of the equations on zero-point energy calculations and experimental fits are discussed. The VPT2+K method is defined by these results for use in fitting and calculating vibrational energy levels.