- EXCITING
EXCITING is a state-of-the-art full-potential linearized
augmented plane wave (FP-LAPW) code which usesquantum mechanics , specificallydensity functional theory (DFT), to determine the physical properties of solids and molecules. Augmented plane waves provide an almost idealbasis set for computing theHamiltonian matrix for a periodic solid, and allow for tightly bound core and semi-core electrons to be treated on the same footing asvalence electrons .The EXCITING code is designed so that new methods in DFT can be implemented quickly and reliably. For example, it is currently the only code available that can perform exact exchange
optimized effective potential (EXX-OEP) calculations fornon-collinear systems with full treatment of the core-valence interaction.EXCITING is freely available and released under the
GNU General Public License .ee also
*
pwpaw
*Quantum chemistry computer programs External links
*http://exciting.sourceforge.net
Wikimedia Foundation. 2010.