PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction - Schwalbe, Sebastian; Fiedler, Lenz; Kraus, Jakob; Kortus, Jens; Trepte, Kai; Lehtola, Susi (The Journal of chemical physics, 2020)
Keywords: Algorithms; Approximation; Computer simulation; Electronic structure; High level languages; Mathematical analysis; Modularity; Optimization; Programming languages; Python; Quadratures; Quantum chemistry