Atomic Compton profiles within different exchange-only theories

Details Atomic Compton profiles within different exchange-only theories Atomic Compton profiles within different exchange-only theories

1999-06-24

arxiv.org/abs/physics/9906046v1

Physics

Atomic Physics

15 pages

Scientific paper

10.1007/s100530050360

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.

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