title: Fock-exchange for periodic structures in the real-space formalism and the KLI approximation.
abstract: The calculation of Fock-exchange interaction is an important task in the computation of molecule and solid properties. In this work we describe how we implement the Fock exchange in the real-space formalism using the KLI approximation for the OEP equation for 3D periodic systems. The implementation is demonstrated within the PARSEC real-space pseudopotential code that uses a discrete uniform grid and norm conserving pseudopotentials for the ionic potentials.
authors.affiliation: Department of Physical Electronics, Tel-Aviv University, Tel-Aviv, Israel. amirnatan@tau.ac.il.
authors.forename: Amir
authors.initials: A
authors.lastname: Natan