"Analytic atomic gradients in the fermi-löwdin orbital ..."

Kai Trepte et al. (2019)

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DOI: 10.1002/JCC.25767

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type: Journal Article

metadata version: 2024-10-06

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Kai Trepte, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Der-You Kao, Yoh Yamamoto, Tunna Baruah, Rajendra R. Zope, Kushantha P. K. Withanage, Juan E. Peralta, Koblar A. Jackson:
Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. J. Comput. Chem. 40(6): 820-825 (2019)

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