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pro vyhledávání: '"Gaudel, Bimal"'
To follow up on the unexpectedly-good performance of several coupled-cluster models with approximate inclusion of 3-body clusters [J. Chem. Phys. 151, 064102 (2019)] we performed a more complete assessment of the 3CC method [J. Chem. Phys. 125, 20410
Externí odkaz:
http://arxiv.org/abs/2407.08859
Autor:
Masteran, Conner, Kumar, Ashutosh, Teke, Nakul, Gaudel, Bimal, Yanai, Takeshi, Valeev, Edward F.
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 s
Externí odkaz:
http://arxiv.org/abs/2211.09685
Autor:
Masteran, Conner, Kumar, Ashutosh, Teke, Nakul, Gaudel, Bimal, Yanai, Takeshi, Valeev, Edward F.
Publikováno v:
Journal of Chemical Physics; 2/7/2023, Vol. 158 Issue 5, p1-3, 3p
Publikováno v:
The Journal of Physical Chemistry - Part A; 20240101, Issue: Preprints