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北京石油化工学院2026年研究生招生接收调剂公告
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[交流] 【求助】关于高斯的问题

我算三个原子的 两个原子的分子态如1Σ+、2Π
问问大家三个原子的分子态该怎么确定啊??
谢谢大家
Alpha Orbitals:
       Occupied  (A') (A') (A') (A") (A') (A') (A') (A") (A') (A')
                 (A") (A') (A') (A') (A") (A') (A') (A') (A") (A')
                 (A') (A") (A') (A")
       Virtual   (A') (A") (A') (A') (A') (A') (A") (A") (A') (A')
                 (A') (A") (A') (A') (A') (A') (A") (A') (A") (A')
                 (A') (A") (A") (A') (A') (A") (A') (A') (A') (A')
                 (A") (A') (A") (A') (A') (A") (A') (A') (A') (A")
                 (A') (A") (A') (A') (A") (A') (A') (A') (A') (A")
                 (A") (A') (A") (A') (A") (A') (A") (A') (A') (A')
                 (A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
                 (A') (A") (A') (A') (A") (A') (A") (A') (A") (A')
                 (A') (A') (A') (A") (A') (A') (A') (A") (A') (A')
                 (A") (A") (A') (A") (A') (A') (A") (A") (A') (A")
                 (A') (A') (A') (A") (A') (A') (A') (A')
Beta  Orbitals:
       Occupied  (A') (A') (A') (A") (A') (A') (A') (A') (A") (A')
                 (A') (A') (A") (A') (A") (A') (A')
       Virtual   (A') (A') (A") (A') (A') (A") (A") (A') (A') (A")
                 (A') (A') (A') (A') (A") (A") (A') (A') (A") (A')
                 (A') (A') (A') (A') (A") (A') (A") (A') (A") (A')
                 (A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
                 (A') (A') (A") (A') (A') (A') (A") (A') (A') (A')
                 (A") (A") (A') (A') (A') (A') (A") (A') (A") (A")
                 (A') (A") (A') (A') (A") (A') (A') (A") (A') (A')
                 (A") (A') (A') (A") (A') (A") (A') (A') (A") (A')
                 (A') (A") (A') (A") (A') (A") (A') (A') (A') (A')
                 (A") (A') (A') (A") (A') (A') (A") (A") (A') (A')
                 (A") (A') (A") (A') (A') (A") (A") (A') (A') (A')
                 (A") (A') (A') (A') (A')

[ Last edited by lei0736 on 2008-5-11 at 14:25 ]
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