We present tests of the recent M11plus Minnesota density functional for a broad range of main-group and transition-metal chemistry databases, most of which were not used in in the construction of any of the Minnesota functionals. M11plus is a range-separated hybrid meta functional combining long-range nonlocal Hartree–Fock exchange with nonlocal rung-3.5 correlation. M11plus performs well for main-group thermochemistry, kinetics, and noncovalent interactions and especially well for radical species. It is numerically well behaved, it has a computational cost that is ∼1.2 to 1.5 times that of M11 in realistic calculations, and it is particularly accurate for triplet excited states, which is a difficult challenge for density functional approximations. The results show that nonlocal rung-3.5 correlation is a broadly useful ingredient for improving the performance of density functional approximations.

中文翻译：

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M11plus，一种结合了非局部Rung-3.5相关性的距离分离混合元功能，在各种数据库上均具有广泛的准确性

我们为大多数主族和过渡金属化学数据库提供了最新的M11plus明尼苏达州密度泛函的测试，其中大多数数据库并未用于构建任何明尼苏达州的泛函。M11plus是将远程非本地Hartree-Fock交换与非本地梯级3.5相关性结合起来的范围分隔的混合元功能。M11plus在主族热化学，动力学和非共价相互作用方面表现出色，特别是对于自由基物种而言。它在数值上表现良好，在实际计算中的计算成本约为M11的1.2到1.5倍，并且对于三重激发态尤其准确，这对于密度泛函近似而言是一个艰巨的挑战。结果表明，非本地梯级3。