dorsal/arxiv
View SchemaAtomic Compton profiles within different exchange-only theories
| Authors | Rajendra R. Zope, Manoj K. Harbola, Rajeev K. Pathak |
|---|---|
| Categories | |
| ArXiv ID | physics/9906046 |
| URL | https://arxiv.org/abs/physics/9906046 |
| DOI | 10.1007/s100530050360 |
Abstract
The Impulse Compton Profiles (CP's) J(q) and the <p^n> - 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 <p^n> 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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"abstract": "The Impulse Compton Profiles (CP\u0027s) J(q) and the \u003cp^n\u003e - expectation values\nfor some inert gas atoms (He-Kr) are computed and compared within the\nHarbola-Sahni (HS), Hartree-Fock(HF) theories and a Self Interaction Corrected\n(SIC) density functional model. The Compton profiles for excited states of\nHelium atom are also calculated. While the calculated CP\u0027s are found to\ngenerally agree, they differ slightly from one another for small values of the\nCompton parameter q and are in good agreement for large q values. The \u003cp^n\u003e\nexpectation values within the three theories are also found to be comparable.\nThe HS formalism seem to mimic HF reasonably well in the momentum space,\nestablishing the logical consistency of the former.",
"arxiv_id": "physics/9906046",
"authors": [
"Rajendra R. Zope",
"Manoj K. Harbola",
"Rajeev K. Pathak"
],
"categories": [
"physics.atom-ph",
"physics.chem-ph"
],
"doi": "10.1007/s100530050360",
"title": "Atomic Compton profiles within different exchange-only theories",
"url": "https://arxiv.org/abs/physics/9906046"
},
"schema_id": "dorsal/arxiv",
"source": {
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"variant": "snapshot-2026-03-01",
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