A full quantum mechanical calculation leads to precisely the same formula.
一个纯粹量子力学的计算得到了完全相同的结果。
One of the Holy Grails of quantum mechanical calculation is to predict properties of matter prior to experiments, to examine the physical properties or processes that are inaccessible by experiments.
量子化学计算的一大优势在于它可以先于实验来预测物质的性质或实验上至今无法测得的一些物理量及无法观测到的反应过程。
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