  In this paper, we propose an orbital iteration based parallel approach for
electronic structure calculations. This approach is based on our understanding
of the single-particle equations of independent particles that move in an
effective potential. With this new approach, the solution of the
single-particle equation is reduced to some solutions of independent linear
algebraic systems and a small scale algebraic problem. It is demonstrated by
our numerical experiments that this new approach is quite efficient for
full-potential calculations for a class of molecular systems.
