共查询到20条相似文献,搜索用时 138 毫秒
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通过对第一过渡族自由离子光谱参数实验值的线性分析和计算,得到了具有系统性和规律性的最优化3d电子径向波函数。并用最优化3d电子径向波函数计算了自由离子光谱,理论计算与实验进行了比较。 相似文献
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本文叙述了30—100keV的H~-离子被剥离生成快H~0原子的过程,给出了H~-离子入射到各种气体中的最大中性成份和中性转换效率。 相似文献
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晶体场中能级分裂的计算--行列式波函数方法(4-1)用微扰法计算晶体场中能级分裂的示例 用简并微扰法计算晶体场中自由离子能级的分裂时,晶体场哈密顿量作为微扰,自由离子波函数为基,求出矩阵元,解久期方程,求出一级能量修正值即晶体场中能级的分裂,同时可求出自由离子基函数的线性组合作为零级近似波函数.下面以3d1组态的能级为例. 相似文献
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计算双电子原子基态能量的坐标张弛变分法 总被引:3,自引:0,他引:3
给出了一种计算双电子原子基态能量和波函数的坐标张弛的变分方法.同时,利用Matlab语言开发了一个软件程序,对He原子和类He离子的基态能量进行了变分计算. 相似文献
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提出了一种计算氦原子及类氦离子基态能量和波函数的二参数变分法,包括试探波函数的设计和基态能量表达式的推导,并用Mathematica 5.0软件的优化计算功能方便快捷地计算出基态能量,将计算结果与实验结果和部分所列文献的结果进行对比.结果表明,本文所得精度较高,变分参数个数较少.同时强调交换对称性和量子态的交缠在双电子原子体系问题中的重要性. 相似文献
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研究电子与离子碰撞激发过程,在波恩近似下,用多组态平面波与多组态库仑波方法计算振子强度与碰撞强度,并且编制了相应程序MCPBA(九)和MCCBX(九)。以四个组态、27个能级的类Ne-锗为例,从基态开始激发。用MCPBA(九)计算了13个包含直接碰撞的过程。用MCCBX(九)给出了全部26个交换效应的碰撞强度。考虑了不同离子波函数对碰撞强度的影响。还与国外扭曲波计算数据进行了比较。结果表明,对某些激发过程必须进行多组态计算,改进离子波函数的计算甚至比改进碰撞电子波函数更为重要。 相似文献
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The ionized Lifetime of the hydrogen negativeion in a uniform electric field is again calculated by using improved perturbation theory.The choice of the H--ion wave function and the normalization of wave function of continuous state are discussed. The numerical calculations by using Rotenberg-Stein wave function with five parameters are performed. Comparison of our results with experimental results obtained by G. M. Stinson et al. is given. 相似文献
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发展了一套高精度、高效率的伪谱方法,以非微扰的方式求解真实原子三维含时Schrdinger方程.该方法选用二阶劈裂算符作为时间演化算子,分别选择能谱表象和坐标表象作为含时波函数演化的两个表象.在坐标表象下波函数的径向部分使用库仑波函数离散变量表象来离散;角向波函数展开在两维的Gauss-Legendre-Fourier格点上.以H原子的光激发和光电离过程为例,进行了数值计算并和解析解进行了比对.结果表明二者符合很好.该方法很好地处理了库仑奇点问题.还计算了强激光辐照H原子的多光子电离过程,并和其他的数值方案进行了比较.结果表明,在计算收敛的前提下本方法计算效率更高.
关键词:
三维含时Schrdinger方程
库仑奇点
强场
含时波包传播 相似文献
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发展了一套高精度、高效率的伪谱方法,以非微扰的方式求解真实原子三维含时Schrodinger方程.该方法选用二阶劈裂算符作为时间演化算子,分别选择能谱表象和坐标表象作为含时波函数演化的两个表象.在坐标表象下波函数的径向部分使用库仑波函数离散变量表象来离散;角向波函数展开在两维的Gauss-Legendre-Fourier格点上.以H原子的光激发和光电离过程为例,进行了数值计算并和解析解进行了比对.结果表明二者符合很好.该方法很好地处理了库仑奇点问题.还计算了强激光辐照H原子的多光子电离过程,并和其他的数值方案进行了比较.结果表明,在计算收敛的前提下本方法计算效率更高.Abstract: We present an accurate and effective pseudospectral method for solving the three-dimensional time-dependent Schrodinger equation involving the Coulomb potential. In this method, the Hamiltonian is evaluated by exploiting the two representations of the wave function. One is a grid representation, in which the angular dependence of the wave function is expanded in a two-dimensional Gauss-Legendre-Fourier grid in the coordinate space of polar and azimuthal angles. The radial coordinate is discretized using a discrete variable representation constructed from the Coulomb wave function (CWDVR) . The other is a spectral representation, in which the wave function is expanded in a set of square integrable functions chosen as the eigenfunctions of a zero-order Hamiltonian. The time of propagation of the wave function is calculated using the well-known second-order split-operator method implemented through the transform between the grid and spectral representations. Calculations on the photo-absorption strength of hydrogen atom are presented to demonstrate the accuracy of present method in low energy limit by the time-dependent wave-packet propagation method. As another example, the present method is applied to multiphoton ionization of H atom. For a wide range of field parameters, ionization rates calculated using the present method are in excellent agreement with those from other accurate numerical calculations. The new algorithm will be found more efficient than the close coupled wave packet method using CWDVR and/or methods based on evenly spaced grids. 相似文献
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We propose a simple triton wave function that consists of a product of three correlation operators operating on a three-body spin-isospin state. This wave function is formally similar to that used in the recent variational theories of nuclear matter, the main difference being in the long-range behavior of the correlation operators. Variational calculations are carried out with the Reid potential, using this wave function in the so-called “symmetrized product” and “independent pair” forms. The triton energy and density distributions obtained with the symmetrized product wave function agree with those obtained in Faddeev and other variational calculations using harmonic oscillator states. The proposed wave function and calculational methods can be easily generalized to treat the four-nucleon α-particle. 相似文献
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Subenoy Chakraborty 《Pramana》1990,34(5):403-414
A brief account for the higher order wave function in Hartle-Hawking (H-H) proposal is given which is compared with the tunneling
wave function due to Vilenkin. The probability distributions are determined for both types of wave functions. Also a class
of solutions are evaluated using H-H approach for Kantowski-Sachs metric with a scalar field and inflation is observed. 相似文献
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S. C. Jain 《Zeitschrift für Physik A Hadrons and Nuclei》1969,222(3):222-224
The charge form factor of Li6 are calculated using an exponential type of wave function to describe its ground state. The value of the parameter in the wave function is obtained by fitting the root-mean-square radius for the above wave function to the experimental value. We found our calculated charge form factor in excellent agreement with those obtained from electron-Lithium scattering experiments. This shows that our wave function for Li6 is quite satisfactory. 相似文献
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