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Correction to “Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation”
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2020-10-19 , DOI: 10.1021/acs.jpclett.0c03077
James W. Furness , Aaron D. Kaplan , Jinliang Ning , John P. Perdew , Jianwei Sun

The value of dp2 was incorrectly given in the main text. The correct value, for both the r2SCAN exchange and correlation energy functionals, is dp2 = 0.361 as given in the Supporting Information. We regret the error and thank F. Tran for bringing this to our attention. The authors were made aware at the time of publication of calculations using the TASK exchange functional that demonstrate increased numeric efficiency [Hofmann, F. ; Kümmel, S. J. Chem. Phys.2020, 153, 114106; DOI: 10.1063/5.0023657]. We therefore regret our assertion that the modifications TASK proposes are not expected to increase numerical efficiency and instead refer interested readers to their work. We thank S. Kümmel for bringing this to our attention. Neither error affects the ensuing material in the original publication nor its conclusions. This article has not yet been cited by other publications.

中文翻译:

修正为“精确且高效的r 2 SCAN元广义梯度逼近”

正文中错误地给出了d p 2的值。对于r 2 SCAN交换函数和相关能量函数,正确的值是d p 2 = 0.361,如支持信息中所述。我们对错误表示遗憾,并感谢F. Tran引起我们注意。在发布计算时,使用TASK交换函数的作者意识到了这一点,它们证明了数值效率的提高[Hofmann,F.; 库梅尔(S. J. Chem。)物理 2020年,153,114106; DOI:10.1063 / 5.0023657]。因此,我们对TASK提出的修改预期不会提高数值效率而反而将感兴趣的读者引向他们的工作的主张感到遗憾。我们感谢S.Kümmel引起我们的注意。错误既不会影响原始出版物中的后续材料,也不会影响其结论。本文尚未被其他出版物引用。
更新日期:2020-11-06
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