ADF

Short Description: DFT method

Long Description:
ADF is a density functional theory package based on Kohn-Sham approach to solving electronic structure problem. It can be employed to study energy, geometry, transition states, frequencies, thermodynamic properties, reaction path, and ionization and excitation energies of moleculer systems.

Category: Applications - Scientific and Engineering: Computational Chemistry
Applications - Scientific and Engineering: Materials Science

Vendor/Developer: Scientific Computing & Modelling NV (SCM)

Vendor Website: http://www.scm.com/

Software Website: http://www.scm.com/Doc/Welcome.html

Programming Language:

Terms of Use:

Installed Copies:

NCSA: SGI Altix (Version - 2009.01)
NCSA: Intel 64 Linux Cluster (Version - 2009.01)