ELSI: A unified software interface for Kohn-Sham electronic structure solvers

Victor Wen-zhe Yu, Fabiano Corsetti, Alberto García, William P. Huhn, Mathias Jacquelin, Weile Jia, Björn Lange, Lin Lin 0001, Jianfeng Lu 0001, Wenhui Mi, Ali Seifitokaldani, Álvaro Vázquez-Mayagoitia, Chao Yang 0001, Haizhao Yang, Volker Blum. ELSI: A unified software interface for Kohn-Sham electronic structure solvers. Computer Physics Communications, 222:267-285, 2018. [doi]

Abstract

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