【摘要】 本文为了彻底解决等价组态光谱项求取难的问题,我们提出了一种新的推算方法。该法是将等价组态的电子排布用占有电子轨道的 m_l值表示,并根据 m_l值的变化规律推算 M_L~α(或M_L~β)值、半微状态及半微状态数,从而计算 M_L 值和相应的 M_L 值数目,然后列出 M_L—M_s 矩阵即可计算原子光谱项。此法既便于人工计算,又能利用 Appl—Ⅱ微机进行推算。只要给定电子组态,即可迅速推出全部光谱项。更多还原

【Abstract】 Here we report a new deriving method to solve the problem for obtaining spectrumterms of equivalent configuration.It shows that the electronic arrangement of equivalentconfiguration can be expressed by the value of m_L numerals,which stands for the elec-tronic occupied orbit.And from the changing value of m_L we complete the derivation.Thus,it can be easily applied to manual calculation and Apple—Ⅱ microcomputer aswell.Until recently from the literature we can only get the spectrums for s~x、p~x、d~x、f~x and g~x.By our process the spectrum terms of h~x、i~x、k~x、l~x and m~x configuationcan be calculated.For given electronic configuration,it takes generally as short as oneminute or ten minutes at most to derive the entire spectrum terms.更多还原