WBEPM 波函数中轨道指数与组态内电子逐级电离能关系的研究

高等学校化学学报 ›› 1997, Vol. 18 ›› Issue (3): 454.

WBEPM 波函数中轨道指数与组态内电子逐级电离能关系的研究

李国胜, 郑能武, 苏伟, 张毅

中国科学技术大学应用化学系, 合肥, 230026

收稿日期:1996-03-22 出版日期:1997-03-24 发布日期:1997-03-24
通讯作者: 郑能武.
作者简介:李国胜, 男, 28岁, 中法联合培养博士.
基金资助:
国家自然科学基金;国家科学技术委员会基金;中国科学院院长基金

A Study of the Relationship Between the Orbital Exponent in WBEPM Wave Function and the Gradual Ionization Energy of the Electron in Configurations

LI Gu Sheng, ZHENG Neng-Wu, SU Wei, ZHANG Yi

Department of Applied Chemistry, University of Science & Technology of China, Hefei, 230026

Received:1996-03-22 Online:1997-03-24 Published:1997-03-24

摘要/Abstract

摘要： 直接从最弱受约束电子的能量表达式出发,根据电离能实验值,并校以-dk参数,确定了Racah参数A、B、C和旋-轨耦合系数ξ_3d,结果与实验值吻合.还特别讨论了ξ参数与组态内各电子逐级电离能的加权平均值之间的关系.

关键词: 多重态参数, WBEPM波函数, 逐级电离能

Abstract: Racah parameters A, B, Cand spin-orbit coupling coefficientsξ_3d are obtained directly from the energy formula of the weakest bound electron and the experimental values of the lonization energy adjusted by a parameter dk.The results are coincided with the experimental values very well.The relationship between the parameterξ and the weighted averages of each electron gradual ionization energy in configurations is discussed.

Key words: Multiplet parameter, WBEPM wave function, Gradual ionization energy

TrendMD:

李国胜, 郑能武, 苏伟, 张毅. WBEPM 波函数中轨道指数与组态内电子逐级电离能关系的研究. 高等学校化学学报, 1997, 18(3): 454.

LI Gu Sheng, ZHENG Neng-Wu, SU Wei, ZHANG Yi. A Study of the Relationship Between the Orbital Exponent in WBEPM Wave Function and the Gradual Ionization Energy of the Electron in Configurations. Chem. J. Chinese Universities, 1997, 18(3): 454.