TY - RPRT TI - Implemented advance Surface-Hopping functional in time dependent Density Functional Theory (TDDFT) simulator package for modeling of nonlinear X-ray spectroscopy in complex molecular materials AU - Nelson, Tammie Renee AU - Song, Huajing PY - 2021 DO - 10.2172/1778729 UR - https://www.osti.gov/biblio/1778729 ID - 1778729 ER -