The EPMD-LMTO program for electron positron
momentum density calculations in solids
B. Barbiellini
,
, a, S.B. Dugdaleb, T. Jarlborgc
aDept. of Physics, Northeastern University,
Boston, MA 02115, USA
bH.H. Wills Physics Laboratory, University of Bristol,
Tyndall Avenue, Bristol BS8 1TL, UK
cDPMC, University of Geneva,
24 Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland
A package to calculate the momentum densities measured in positron annihilation and Compton scattering experiments is presented. The theoretical background to the method and the unique features of the package are explained. The application of the method to a variety of systems is illustrated with examples chosen to highlight how such calculations have been essential to the interpretation of the experiments.
Author Keywords: DFT, LMTO, Positrons, X-ray scattering
sep Momentum density
