Institute for Theoretical Chemistry, Ulm University, Albert-Einstein-Allee 11, 89069, Ulm, Germany.
Angew Chem Int Ed Engl. 2017 May 8;56(20):5396-5398. doi: 10.1002/anie.201701894. Epub 2017 Apr 10.
More insight or only more parameters? A recent claim that the development of new density functional theory (DFT) functionals is straying from the right path has sparked a lively discussion among theoretical chemists about the future of DFT.
更多的洞察力还是仅仅更多的参数？最近有人声称，新密度泛函理论（DFT）函数的发展偏离了正确的道路，这在理论化学家之间引发了一场关于 DFT 未来的热烈讨论。
