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. JacksonPublished in: J. Comput. Chem. (2019)