Report on 
Generation of Pseudopotentials for 
Quantum Mechanical Calculations with SeqQuest Code.

 

                                                                        term:  March 31 - April 27, 2003
Completed tasks:
  1. I generated pseudopotentials for Cu, Nb, Tc, Rh, Pd, Ag, Cd, Hf, Ta, W, Re, Os, Ir, Au, Hg
  2. I completed basis set optimizations  for  Cu, Ag, Cd, Tc

Work in progress: 

Basis set optimizations for Nb, Rh, Pd, Hf, Ta, W, Re, Os, Ir, Au, Hg

 

 

Dr. Eugene Heifets,

 04.30.2003