Browsing Theses by Subject "low dimensional materials"
Now showing items 1-1 of 1
-
From Fundamentals to Spectroscopic Applications of Density Functional Theory
(University of Waterloo, 2020-05-29)Density functional theory (DFT) and its time-dependent counterpart (TDDFT) are crucial tools in material discovery, drug design, biochemistry, catalysis, and nanoscience. However, despite its exact theoretical basis, ...