Generation of Pseudopotentials for
Quantum Mechanical Calculations with SeqQuest Code.
term: May 12 - July 06, 2003
I generated pseudopotentials for Ga, In, Tl, Sn, As, Sb, Se, Cl, Br, I
I completed basis set optimizations for Rh, Pd, Ir, Au, Ba.
I completed Shell Model simulations of  surface structure for SrTiO3
I prepared two papers on Shell Model and ab initio simulations of
O-terminated  surface of LaMnO3 for publication.
Work in progress:
Basis set optimizations for Ca, Ga, In, Tl, Sn, As, Sb, Se, Cl, Br, I
Dr. Eugene Heifets,