TY - RPRT TI - GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions AU - Huhn, William P. AU - Lange, Björn AU - Yu, Victor Wen-zhe AU - Yoon, Mina AU - Blum, Volker PY - 2020 DO - 10.1016/j.cpc.2020.107314 UR - https://www.osti.gov/biblio/1631232 ID - 1631232 ER -