• PBE0 – 25% HF exchange + 75% PBE GGA exchange + PBE GGA correlation Since the ACM0 models contain, by definition, only the adjustable parameters used in their GGA component, we have thought it interesting to analyze the performances of the ACM0 model issuing from the PBE GGA ~hereafter PBE0!
衷心表示如果只是用这个泛函算了东西，别写全称，要表述什么直接说“(optimized) with PBE0 functional”就可以了，为了显得明白顶多写个“(optimized) with the hybrid functional PBE0, which is shown to 【泛函的特点，比如做优化很精确 [benchmark 引文]】” 之类的就足够了。
我不推荐写全称是因为比如写“双杂化泛函mPW2PLYP”做计算的半秒钟就能知道是什么，这样的缩写语言也是专业的，非要写成“Adamo and Barone modified Perdew-Wang exchange functional with 2 parameter perturbative mixture of MP2 and correlation functional developed by Lee, Yang, Parr”之类的 jibberish 谁能看出来是啥意思，既不利于高效的传达信息，也完全没有显得专业、没说明懂得多、没有提供insight，读者浪费了不少精力，还没有获得有效信息，令人读起来沮丧。作者Author: DUNING 时间: 2019-5-17 14:42