Carnegie Mellon
Department of Mathematical 

Carlos Garcia-Cervera, University of California, Santa Barbara

"An Efficient Real-Space Method for Orbital-Free Density Functional Theory"


I will describe an efficient implementation of the Truncated-Newton method for energy minimization in the context of orbital-free density functional theory. I will illustrate the efficiency and accuracy of the method with numerical simulations in an Aluminium FCC lattice.

THURSDAY, March 1, 2007
Time: 1:30 P.M.
Location: PPB 300