推求等效组态的原子谱项波函数

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谱项的谱项波函数这一难题，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ｓ＾Ｎ，ｐ＾Ｎ，ｄ＾Ｎ，ｇ＾Ｎ，ｉ＾Ｎ，ｋ＾Ｎ的Ｌ－Ｓ耦合谱项和谱项波函数

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

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.