通常,把自由态金属离子波函数作为实际络离子中心金属离子的零级近似,但具体数字分析表明,对于Cu~(++)作中心金属离子的卤素络离子,用自由态Cu~(++)离子的Richardson波函数作零级近似得不到正确的晶场谱,事实表明,配体离子对中心金属离子的径向状态有重要影响,和中心金属原子实场满足相同对称性的配位体场引起束缚态金属离子状态较大变化,因而对束缚态的金属离子,即使是零级近似径向波函数,也要考虑部份配体场的影响。 Usually, the free-form metal ion wave function is taken as the zero-order approximation of the actual center ion of the metal ion, but the specific numerical analysis shows that for the halogen complex ion with Cu ~ (++) as the central metal ion, +) Ions for Richardson wave function zero-order approximation can not get the correct crystal field spectrum, the fact shows that ligand ions have an important influence on the radial state of the central metal ions, and the central metal atom field to meet the same symmetry with The body field causes a large change in the state of the bound metal ions, and thus the effect of the part of the ligand field on the bound metal ions, even in the approximate zero-order radial wave function, is considered.