Work supported by

• Yousef Saad, Professor, Co-Principal investigator.
• Yunkai Zhou , Post-doctoral associate
• Scott McLachlan Post-doctoral associate

Year 1 :
Work in this project has begun in Jan. 2004. We are currently starting to investigate methods in DFT and TDDFT --
Year 2: We have recently developed new algorithms for self consistent iterations which are much faster than existing methods. In addition to speed the method also gains in robustness. Experiments are under way for testing large and hard systems such are iron clusters.

List of recent technical reports acknowledging support of this grant --