ELSI — An open infrastructure for electronic structure solvers - Yu, Victor Wen-zhe; Campos, Carmen; Dawson, William; García, Alberto; Havu, Ville; Hourahine, Ben; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Keçeli, Murat; Laasner, Raul; Li, Yingzhou; et al. (Computer physics communications, 2020)
Keywords: Density matrix; Density-functional theory; Density-functional tight-binding; Eigensolver; Electronic structure theory; Parallel computing; Density matrix; Density-functional theory; Parallel computing; Electronic structure theory; Eigensolver; Density-functional tight-binding