TY - RPRT TI - Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th–O Case Study AU - Liu, Chang AU - Aguirre, Néstor F. AU - Cawkwell, Marc J. AU - Batista, Enrique R. AU - Yang, Ping PY - 2024 DO - 10.1021/acs.jctc.4c00145 UR - https://www.osti.gov/biblio/2469615 ID - 2469615 ER -