https://doi.org/10.1007/s100530050360
Atomic Compton profiles within different exchange-only theories
1
Department of Physics, University of Pune, Pune 411 007, Maharashtra, India
2
Laser Programme, Centre for Advanced Technology, Indore-452
013, Madhya Pradesh, India
Received:
11
December
1998
Revised:
20
April
1999
Published online: 15 September 1999
The impulse Compton Profiles (CPs) 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 CPs 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
is seen to mimic HF reasonably well in the momentum space,
establishing the logical consistency of the former.
PACS: 31.25.-v – Electron correlation calculations for atoms and molecules / 31.90.+s – Other topics in the theory of the electronic structure of atoms, molecules, and their ions
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
