66 research outputs found
Atomic Compton profiles within different exchange-only theories
The Impulse Compton Profiles (CP's) J(q) and the - expectation values
for some inert gas atoms (He-Kr) are computed and compared within the
Harbola-Sahni (HS), Hartree-Fock(HF) theories and a Self Interaction Corrected
(SIC) density functional model. The Compton profiles for excited states of
Helium atom are also calculated. While the calculated CP's are found to
generally agree, they differ slightly from one another for small values of the
Compton parameter q and are in good agreement for large q values. The
expectation values within the three theories are also found to be comparable.
The HS formalism seem to mimic HF reasonably well in the momentum space,
establishing the logical consistency of the former.Comment: 15 page
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