ELSI - An open infrastructure for electronic structure solvers

Victor Wen-zhe Yu, Carmen Campos, William Dawson, Alberto García, Ville Havu, Ben Hourahine, William P. Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin 0001, Jianfeng Lu 0001, Jonathan Moussa, José E. Román, Álvaro Vázquez-Mayagoitia, Chao Yang 0001, Volker Blum. ELSI - An open infrastructure for electronic structure solvers. Computer Physics Communications, 256:107459, 2020. [doi]

Abstract

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