论文标题

评论“与预测的Slater型Geminals的规范超相关理论” [J.化学物理。 136,084107(2012)]

Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]

论文作者

Masteran, Conner, Kumar, Ashutosh, Teke, Nakul, Gaudel, Bimal, Yanai, Takeshi, Valeev, Edward F.

论文摘要

该评论确定了参考文献中报道的形式主义/实施中的错误。 1并讨论了原始出版物中未完全指定的这项工作的某些方面。该评论还为简单系统提供了参考数值结果,以简化其他研究人员对方法的未来实施。

This Comment identifies errors in the formalism/implementation reported in Ref. 1 and discusses some aspects of that work that were not fully specified in the original publication. This Comment also provides reference numerical results for a simple system to ease future implementation of the approach by other researchers.

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