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在标量势和矢量势相等的条件下,严格求解了在广义非对称Hartmann势场中粒子运动的Klein Gordon方程;并利用束缚态边界条件,获得了束缚态能谱表达式和由超几何函数表示出的波函数. 相似文献
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讨论了3种变形谐振子势:左右两边不同参数的谐振子势、左边方形势加右边谐振子势和谐振子势中间加δ势中的能量本征态函数.这些函数都可以由厄米函数表示.由波函数及其一次导数在原点的衔接条件,得到了能谱方程. 相似文献
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一般Hartmann势Klein-Gordon方程的束缚态 总被引:1,自引:1,他引:0
用分离变量方法讨论了在一般Hartmann标量势和矢量势相等条件下Klein-Gordon方程的束缚态解.体系的性质与三个量子数及一般Hartmann势的势参数有关.给出了用广义连带勒让德多项式表示的归一化角向波函数和用合流超几何函数表示的归一化径向波函数,获得了精确的束缚态能谱方程.氢原子势、类氢原子势和Hartmann势是本文一般Hartmann势的三个特例. 相似文献
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提出了一种新的环状非球谐振子势, 在标量势与矢量势相等的条件下, 给出了Dirac 方程的束缚态解.通过分离变量得到Dirac方程相应的角向方程和径向方程,得出了用广义连带勒让德多项式表示的归一化角向波函数和用合流超几何函数表示的归一化径向波函数;获得了精确的束缚态能谱方程并对结果作适当讨论与结论. 相似文献
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新环状非球谐振子势的Dirac方程束缚态解 总被引:1,自引:1,他引:0
提出了一种新的环状非球谐振子势, 在标量势与矢量势相等的条件下, 给出了Dirac 方程的束缚态解.通过分离变量得到Dirac方程相应的角向方程和径向方程,得出了用广义连带勒让德多项式表示的归一化角向波函数和用合流超几何函数表示的归一化径向波函数;获得了精确的束缚态能谱方程并对结果作适当讨论与结论。 相似文献
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类环型Hulthén势是Hulthén势外面再加上类环型平方反比势.用指数函数近似表示任意分波的离心项,运用函数分析法讨论类环型Hulthén势Schrdinger方程的束缚态解.归一化的角向波函数和径向波函数用超几何函数表示,给出了束缚态能谱,体系的波函数和束缚态能谱与类环型Hulthén势的势参数和三个量子数有关.Hulthén势、Hartmann势和Makarov势束缚态能谱是类环型Hulthén势的特例. 相似文献
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Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1∏ of 7LiH 下载免费PDF全文
The reasonable dissociation limit of the second excited singlet state
B1∏ of 7LiH molecule is obtained. The accurate dissociation energy and
equilibrium geometry of the B1\Pi state are calculated using a
symmetry-adapted-cluster configuration--interaction method in full active space. The
whole potential energy curve for the B1∏ state is obtained over the
internuclear distance ranging from about 0.10nm to 0.54nm, and has a least-square
fit to the analytic Murrell--Sorbie function form. The vertical excitation energy is
calculated from the ground state to the
B1∏ state and compared with previous theoretical results. The
equilibrium internuclear distance obtained by geometry optimization is found to be
quite different from that obtained by single-point energy scanning under the same
calculation condition. Based on the analytic potential energy function, the harmonic
frequency value of the B1∏ state is estimated. A comparison of the
theoretical calculations of dissociation energies, equilibrium interatomic distances
and the analytic potential energy function with those obtained by previous
theoretical results clearly shows that the present work is more comprehensive and in
better agreement with experiments than previous theories, thus it is an improvement
on previous theories. 相似文献
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使用Gaussian03程序包, 采用全电子单双取代耦合簇(CCSD(full))方法, 选择基组6-311+g(2df) , 对Li2分子的基态进行优化计算, 采用十一参量Murrell-Sorbie函数, 运用最小二乘法拟合得到Li2分子基态解析势能函数, 给出与实验值符合很好的光谱常数; 使用同样的方法和基组, 对Li3分子的基态结构进行优化计算, 得到Li3分子基态平衡结构. 采用多体项展式法, 利用Li3分子平衡结构C2v的几何参数、力常数和离解能, 以及七个线性系数Ci(i=1, 2, 3, 4, 5, 6, 7)与两个非线性系数的函数关系, 进行非线性优化拟合得到两个非线性系数, 进而得到七个线性系数, 得到Li3分子基态完全解析势能函数. 势能面静态特征表明, 该势能函数再现了Li3分子基态全部平衡结构特征. 相似文献
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使用Gaussian03程序包,采用全电子单双取代耦合簇(CCSD(full))方法,选择基组6-311+g(2df),对Li2分子的基态进行优化计算,采用十一参量Murrell-Sorbie函数,运用最小二乘法拟合得到Li2分子基态解析势能函数,给出与实验值符合很好的光谱常数;使用同样的方法和基组,对Li3分子的基态结构进行优化计算,得到Li3分子基态平衡结构.采用多体项展式法,利用Li3分子平衡结构C2v的几何参数、力常数和离解能,以及七个线性系数Ci(i=1,2,3,4,5,6,7)与两个非线性系数的函数关系,进行非线性优化拟合得到两个非线性系数,进而得到七个线性系数,得到Li3分子基态完全解析势能函数.势能面静态特征表明,该势能函数再现了Li3分子基态全部平衡结构特征. 相似文献
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Approximate analytical solutions and mean energies of stationary Schrödinger equation for general molecular potential 下载免费PDF全文
The Schrödinger equation is solved with general molecular potential via the improved quantization rule. Expression for bound state energy eigenvalues, radial eigenfunctions, mean kinetic energy, and potential energy are obtained in compact form. In modeling the centrifugal term of the effective potential, a Pekeris-like approximation scheme is applied. Also, we use the Hellmann-Feynman theorem to derive the relation for expectation values. Bound state energy eigenvalues, wave functions and meanenergies of Woods-Saxon potential, Morse potential, Möbius squared and Tietz-Hua oscillators are deduced from the general molecular potential. In addition, we use our equations to compute the bound state energy eigenvalues and expectation values for four diatomic molecules viz. H2, CO, HF, and O2. Results obtained are in perfect agreement with the data available from the literature for the potentials and molecules. Studies also show that as the vibrational quantum number increases, the mean kinetic energy for the system in a Tietz-Hua potential increases slowly to a threshold value and then decreases. But in a Morse potential, the mean kinetic energy increases linearly with vibrational quantum number increasing. 相似文献
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K. J. Oyewumi C. O. Akoshile 《The European Physical Journal A - Hadrons and Nuclei》2010,45(3):311-318
The energy spectra and the corresponding two-component spinor wave functions of the Dirac equation for the Rosen-Morse potential
with spin and pseudospin symmetry are obtained. The s -wave ( k \kappa = 0 state) solutions for this problem are obtained by using the basic concept of the supersymmetric quantum mechanics approach
and function analysis (standard approach) in the calculations. Under the spin symmetry and pseudospin symmetry, the energy
equation and the corresponding two-component spinor wave functions for this potential and other special types of this potential
are obtained. The extension of this result to the k \kappa
1 \neq 0 state is suggested. 相似文献
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Metin Akta? 《International Journal of Theoretical Physics》2009,48(7):2154-2163
Exact bound state solutions of the Schr?dinger equation for generalized noncentral potential are examined by means of the
Nikiforov-Uvarov method. The wavefunctions and the corresponding energy eigenvalues of the system are obtained analytically.
The results examined for the potential are compatible with those obtained by the other methods. 相似文献
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安博 《原子与分子物理学报》2015,32(6)
在D维空间下使用完全量子化规则计算了具有离心项的Woods-Saxon势,根据动量积分 (其中 )和Pekeris近似化条件,得到了系统的任意l波Schrödinger方程的解和能谱方程.讨论了束缚态能谱的有关性质. 相似文献
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The exact analytical solution of the Klein-Gordon equation for the spin-0 particles in the generalized Woods-Saxon potential is presented. The bound state energy eigenvalues and corresponding wave functions are obtained in the closed forms. The correlations between the potential parameters and energy eigenvalues are examined for π0 particles. 相似文献
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安博 《原子与分子物理学报》2016,33(1):33-36
在D维空间下使用完全量子化规则计算了具有离心项的Woods-Saxon势,根据动量积分 (其中 )和Pekeris近似化条件,得到了系统的任意l波Schrödinger方程的解和能谱方程.讨论了束缚态能谱的有关性质. 相似文献
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量子点作为一种重要的低维纳米结构, 近年来在单光子光源和新型量子点单光子探测器的研究引起了人们的广泛关注, 对各种势阱中量子点性质的研究已取得了重要成果. 但是大多理论研究都局限于无限深势阱, 而有限深势阱更具有实际意义. 利用平面波展开、幺正变换和变分相结合的方法研究了有限深势阱中极化子激发态能量及激发能随势阱形状和量子盘大小的变化规律. 数值计算结果表明: 极化子的激发态能量、激发能随势垒高度或宽度的增大而增大, 原因是势垒愈高、愈宽, 电子穿透势垒的可能性愈小, 电子在阱内运动的可能性愈大, 进而导致极化子的激发态能量和激发能均随势垒高度和宽度的增大而增大; 极化子的激发态能量和激发能随量子盘半径的增大而减小, 表明量子盘具有显著的量子尺寸效应; 极化子的激发态能量随有效受限长度的增加而减小, 原因是有效受限长度愈大, 有效受限强度愈小, 电子受到的束缚愈弱、振动愈慢、势能愈小, 进而导致基态能量、激发态能量减小; 同时由于激发态能量较基态能量减小慢, 使得激发能随之增加. 研究结果对量子点的应用具有一定的理论指导意义. 相似文献