THEORETICAL COMPTON PROFILES OF LIF CRYSTAL

The isotropic and directional Compton profiles are calculated for LiF crystals using linear combinations of atomic orbitals orthogonalized to each other symmetrically. The orthogonalisation is performed with an 'exact' cluster method developed recently. The profiles are compared with the profiles obtained previously by series expansion orthogonalisation and with available experimental results. The effect of the 'exact' orthogonalisation on the 'series expansion' profile values is not dramatic but is, however, quite obvious. The present 'exact' profiles and anisotropies (and also the 'series expansion' profiles and anisotropies) are in good agreement with the experimental data.