The latte r is closer to experimental values that shows the calculation precision by B3LYP method considering both local and non-local correlation is higher than that by BPL method considering local correlation only.

• 其中后者更接近实验值 ；说明用同时考虑定域和非定域相关的 B3LYP方法 ；比仅考虑定域相关的 BPL方法有较高的计算精度 .