Browsing by Subject "Density-functional theory, dispersion, noncovalent interactions, quantum chemistry, computational chemistry, electronic structure theory"
Now showing items 1-1 of 1
-
Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion
(2013-03-27)Density-functional theory has become an indispensible tool for studying matter on the atomic level, being routinely applied across diverse disciplines from solid-state physics to chemistry and molecular biology. Its ...