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New analytical independent-particle model potential for atoms

机译:原子的新分析独立粒子模型潜力

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摘要

A new analytical, independent-particle model potential with four shell-independent parameters is proposed, which is suitable for high, medium, and low Z atoms. The four parameters are determined for 101 atoms from Li to Lr by fitting the results of the X (a) method found in the literature. The average fitting error 0.675% of the new potential for the 101 atoms is far better than 3.92% of the widely used Green's potential. The radial Schrodinger equation with the new potential is solved by using Numerov's numerical method for 7 typical atoms: Ne, Ca, Zn, Zr, Sn, Yb, and Th. The energy eigenvalues, radial wave functions, and atomic ground-state energy are in good agreement with the results of the X (a) method. The new potential here shows greater flexibility and better accuracy compared with the Green's potential.
机译:提出了一种新的具有四个与壳无关的参数的独立粒子分析势,它适用于高,中和低Z原子。通过拟合文献中发现的X(a)方法的结果,确定了从Li到Lr的101个原子的四个参数。 101个原子的新电势的平均拟合误差0.675%远好于广泛使用的格林电势的3.92%。通过使用Numerov的数值方法,对Ne,Ca,Zn,Zr,Sn,Yb和Th等7个典型原子求解具有新势能的径向Schrodinger方程。能量特征值,径向波函数和原子基态能量与X(a)方法的结果非常吻合。与Green的潜力相比,这里的新潜力显示出更大的灵活性和更好的准确性。

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