失屏、钻穿、电荷效应及电离势计算方法的改进

IMPROVEMENTS ON SCREENING LOSS,PENTRATION,IONIC CHARGE EFFECT AND CALCULATIONS FOR IONIZATION POTENTIAL

本文提出了多电子原子及离子体系Ｈａｍｉｌｔｏｎ算符中势函数的新表达式，并由此从Ｓｃｈｒｏｄｉｎｇｅｒ方程出发导出了文献［１０］计算电离势的公式。根据原子光谱实验数据对文献［１０］提出的失屏参数、钻穿参数和电荷参数进行了改进。验证表明，应用本文改进后的参数计算所得１－１０３号元素的原子及离子的电离好的结果较前人方法更接近实验值，且本研究工作为预测尚无实验数据的原子及离子的电离势提供了一种简便可靠的方法。

A new expression is put forward for the potential function in the Hamilton operator of multiple electron atomic and ionic systems,and the ionization potential formula in Ref.[10]is derived theoretically from this potential function and Schrodinger equation,According tothe data of atomic spectra,improvements have been made on screening loss,penetration andionic charge parameters suggested in Ref.[10].It has been found that,the atomic and ionicionization potentials of the elements with atomic numbers from 1 to 103,calculated with parameters suggested after improvements,are closer to the experimental values than those calculated with previouly suggested parameters,This study provides a more reliable method forestimating the atomic and ionic ionization potentials whose experimental data are unavailable.