TY - RPRT TI - Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget AU - Li, Yingzhou AU - Lu, Jianfeng PY - 2020 DO - 10.1021/acs.jctc.0c00613 UR - https://www.osti.gov/biblio/2280909 ID - 2280909 ER -