K. Kambe et C. Stampfl, NONLOCAL PSEUDOPOTENTIALS IN THE MULTISLICE METHOD OF CALCULATING ELECTRON WAVE-FUNCTIONS IN CRYSTALS, Ultramicroscopy, 55(3), 1994, pp. 221-227
A method for including non-local potentials in the multi-slice formali
sm for calculating electron wavefunctions in crystals is presented. Wi
th the assumption that non-local potentials appear only in atomic core
regions as correction terms having a so-called separable form, it is
shown that these corrections can be included as an additional procedur
e carried out after each passage through a core region. Possible ways
of deriving pseudopotentials of the present type for various fields of
electron diffraction and electron microscopy are briefly discussed.