ADF and BAND

ADF (Amsterdam Density Functional) is a Fortran program for calculations on atoms and molecules (in gas phase or solution). A separate program for calculation on periodic systems (polymers, surfaces and solids) is called BAND. The underlying theory is Density Functional Theory, specifically the solution of the Kohn-Sham equations. ADF is arguably the best available ab-initio code for transition metals and other heavy elements. It is unique in its usage of Slater (exponential) type basis sets, which provides higher accuracy with smaller size. ADF and Band are trademarks of SCM.