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Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction.

Kai TrepteSebastian SchwalbeTorsten HahnJens KortusDer-You KaoYoh YamamotoTunna BaruahRajendra R. ZopeKushantha P. K. WithanageJuan E. PeraltaKoblar A. Jackson
Published in: J. Comput. Chem. (2019)
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