Generation of Pseudopotentials for
Quantum Mechanical Calculations with SeqQuest Code.
term: April 28 - May 11, 2003
I generated pseudopotentials for Li, K, Ca, Rb, Cs, Ba
I completed basis set optimizations for Nb, Hf, Ta, W, Re, Hg, Li,
Work in progress:
Basis set optimizations for Rh, Pd, Ir, Au, Ca, Ba
Dr. Eugene Heifets,