组态电离势的计算及应用(Ⅰ)

本文根据二阶有限差定律导出了计算同组离子电离势的新公式,I_k=(k-1)I_2-(k-2)I_1+(k-1)(k-2)/2·2R/n'~2 (5’)公式物理意义清楚、形式简洁、计算条件易得,可用来改进Slater原子轨函。文中的(9)、(10)和(11)式可用来计算许多处于激发态的同组原子和离子的Ⅰ_1和Ⅰ_2,这些Ⅰ_1和Ⅰ_2在手册中往往是查不到的。

APPLICATION AND CACULATION OF THE IONZATION POTENTIALS AT VARIOUS ELECTRONIC CONFIGURATIONS

According to the Low of 2nd.order difference of gradient series,we have obtained the new formular for caculating the Ionization potentials of ions at same configuration: I_k=(k-1)I_2-(k-2)I_1+(k-1)(k-2)/2·2R/n'~2 these,explicite meaning in physics,simple in form and easily achievable conditions for caculating,are the characteristics of the formular(5').It can be applied to improve the Slater's Function of atomic orbital. The formular(9),(10)and(11),may be applied to caculate theⅠ_1 andⅠ_2 of excited atoms or excited ions at same configuration,and these values of Ⅰ_1 and Ⅰ_2,offen could not be looked up in any handbooks.