Atomic Compton profiles within different exchange-only theories

Citation
Rr. Zope et al., Atomic Compton profiles within different exchange-only theories, EUR PHY J D, 7(2), 1999, pp. 151-155
Citations number
29
Categorie Soggetti
Physics
Journal title
EUROPEAN PHYSICAL JOURNAL D
ISSN journal
14346060 → ACNP
Volume
7
Issue
2
Year of publication
1999
Pages
151 - 155
Database
ISI
SICI code
1434-6060(199909)7:2<151:ACPWDE>2.0.ZU;2-Q
Abstract
The impulse Compton Profiles (CPs) J(q) and the < p(n)> expectation values for some inert gas atoms (He-Kr) are computed and compared within the Harbo la-Sahni (HS), Hartree-Fock (HF) theories and a Self-Interaction-Corrected (STC) density functional model. The Compton profiles for excited states of helium atom are also calculated. While the calculated CPs are found to gene rally 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 < p(n )> expectation values within the three theories are also found to be compar able. The HS formalism is seen to mimic KF reasonably well in the momentum space, establishing the logical consistency of the former.