A Chemist's Guide to Density Functional
A Chemist's Guide to Density Functional Theory || The Basic Machinery of Density Functional Programs
β
Koch, Wolfram; Holthausen, Max C.
π
Article
π
2001
π
Wiley
β 148 KB
π 2 views
## The Basic Machinery of Density Functional Programs The preceding six chapters provided an overview of the theoretical background and current state of the art of modern approximate density functional theory. We now turn to the more practical problem of how the strategies developed so far can be