ATLAS: A real-space finite-difference implementation of orbital-free density functional theory

Wenhui Mi, Xuecheng Shao, Chuanxun Su, Yuanyuan Zhou, Shoutao Zhang, Quan Li, Hui Wang, Lijun Zhang, Maosheng Miao, Yanchao Wang, Yanming Ma. ATLAS: A real-space finite-difference implementation of orbital-free density functional theory. Computer Physics Communications, 200:87-95, 2016. [doi]

Abstract

Abstract is missing.