Opening the Density Functional Theory Black Box: A Collection of Pedagogic Jupyter Notebooks - Hirschi, Jacob S.; Bashirova, Dayana; Zuehlsdorff, Tim J. (Journal of chemical education, 2023)
Keywords: Black boxes; Chemistry; Density functional theory; Function words; Quantum chemistry; Schrodinger equation; Science education; Graduate Education/Research; Upper-Division Undergraduate; Physical Chemistry; Theoretical Chemistry; Internet/Web-Based Learning; Computer-Based Learning; Computational Chemistry