المؤلفون: Yu Jin, Victor Wen-zhe Yu, Marco Govoni, Andrew C. Xu, Giulia Galli

مصطلحات موضوعية: Biophysics, Medicine, Inorganic Chemistry, Science Policy, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, tddft ), including, several acceleration techniques, predict optical absorption, negatively charged nitrogen, based architectures along, account structural relaxations, 4h silicon carbide, flip hybrid time, excited state properties, several point defects, neutral divacancy center, point defects, neutral silicon, state systems, excited states, neutral oxygen, vacancy center, results highlight, magnesium oxide, emission mechanisms, efficient calculations

Relation: https://figshare.com/articles/journal_contribution/Excited_State_Properties_of_Point_Defects_in_Semiconductors_and_Insulators_Investigated_with_Time-Dependent_Density_Functional_Theory/24712923

الاتاحة: https://doi.org/10.1021/acs.jctc.3c00986.s001
https://figshare.com/articles/journal_contribution/Excited_State_Properties_of_Point_Defects_in_Semiconductors_and_Insulators_Investigated_with_Time-Dependent_Density_Functional_Theory/24712923