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guolianshun

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[求助] MS计算出的铁掺杂氧化物,有一点疑问,请看看。

the valence
and conduction bands arise from crystal field splitting of the
Fe 3d levels due to the octahedral coordination of oxygen around
Fe44. These levels are given the designation Fe 3dL (lower) and
Fe 3dU (upper).
Fe有3d轨道,这老外怎么又搞出来一个3dL,3dU轨道,懂分子杂化分裂的帮看看。
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