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arXiv · 2211.09685

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

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

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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Conner Masteran, Ashutosh Kumar, Nakul Teke, Bimal Gaudel, Takeshi Yanai, Edward F. Valeev. 2022-12-28. Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]. https://doi.org/10.1063/5.0135257

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