推求等效组态的原子谱项波函数  

DEDUCTION OF THE WAVE FUNCTIONS OF ATOMIC SPECTRAL TERMS WITH EQUIVALENT CONFIGURATIONS

作　　者：宋克敏[1] 聂伍军 

机构地区：[1]河北教育学院

出　　处：《光谱学与光谱分析》1995年第1期25-28,共4页Spectroscopy and Spectral Analysis

摘　　要：本文提出了推求复杂组态Ｌ－Ｓ耦合谱项波函数的系统方法，着重解决了推求多重港项的请项波函数这一难题。运用ＰＡＳＣＡＬ语言编制了计算程序，利用本程序可快速、准确地求出等效组态的ＳＮ，ｐＮ，ｄＮ，ｆＮ，ｇＮ，ｉＮ，ＫＮ的Ｌ－Ｓ耦合谱项和谐项波函数。in this paper, we present a systematic method for deducing the wave functions of atomic spectral terms with equivalent configurations. If a spectral term appears many times, it is really a very difficult problem as how to organize the term wave functions. This problem is thoroughly solved by taking linear combination of Slater functions and the lowering operators. We developed a calculating program with PASCAL language, and the wave functions of spectral terms for L-S couple with equivalent configurations such as SN, pN, dN, fN, gN, iN and kN can be quickly and accurately deduced.

关 键 词：等效组态 原子谱项 波函数 L-S耦合 多重谱项 

分 类 号：O641.121[理学—物理化学]