AI 中文总结
介绍阿克塞尔·贝克在分子电子结构计算领域的贡献，他因促成B3LYP泛函及后续发展获诸多荣誉，本文阐述其成就及满足的条件，同时呈现电子结构领域状况。
AI 中文摘要
几乎没有做分子电子结构计算的人没用过著名的B3LYP泛函。很多人知道B3LYP中的“B”代表贝克，但有多少人了解B3LYP泛函的历史呢？阿克塞尔·贝克在化学和物理领域有两篇被高度引用的论文，还有许多虽引用少但同样重要的成就促成了B3LYP及其后续发展。他工作获诸多认可和荣誉，2015年获加拿大最高科学与工程荣誉。他的成就不仅靠才华，还因在合适时间处于合适位置。本文将阐述他满足这些条件，同时展现电子结构领域情况。
英文摘要
There is hardly anyone doing electronic structure calculations on molecules who has not used the famous B3LYP functional. Many will even know that the "B" in B3LYP stands for Becke, but how many know the history of the B3LYP functional? Behind this functional, Axel Becke has two of the most highly cited papers in both chemistry and physics---both with several tens of thousands of citations---and many less cited, but arguably equally important accomplishments, that led to B3LYP, as well as continued developments in building ever better density-functional approximatons after the appearance of B3LYP. Axel has received much recognition and many honors for his work. In particular, in 2015, Axel was awarded Canada's highest honor for science and engineering---namely the Gerhard Herzberg Gold Medal. Achievements like this require more than "just" brilliance; they require being the right person in the right place at the right time. I will argue that Axel did indeed fulfill these requirements. At the same time, I will try to give some flavor of the field of electronic structure as seen through my own eyes and those of a few others during the period from the beginning of Axel's career up until very recent times.
CommentsPrepared for the journal Electronic Structure volume focusing on Axel Becke https://iopscience.iop.org/collections/est-260317-1076
