Materials Science Program & MRSEC Seminar

Xifan Wu, physics, Temple University. Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). Moreover exact exchange is a basic ingredient in modern approaches to compute excitation properties, like the GW. So far, however, computational cost has limited the use of exact exchange in plane wave calculations for extended systems.