TY - RPRT TI - Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package AU - Ahart, Christian S. AU - Rosso, Kevin M. AU - Blumberger, Jochen PY - 2022 DO - 10.1021/acs.jctc.2c00284 UR - https://www.osti.gov/biblio/1886909 ID - 1886909 ER -