dorsal/arxiv
View SchemaDistorted Waves with Exact Non-Local Exchange: a Canonical Function Approach
| Authors | K. Fakhreddine, R. J. Tweed, G. Nguyen Vien, C. Tannous, J. Langlois, O. Robaux |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0206107 |
| URL | https://arxiv.org/abs/quant-ph/0206107 |
Abstract
It is shown how the Canonical Function approach can be used to obtain accurate solutions for the distorted wave problem taking account of direct static and polarisation potentials and exact non-local exchange. Calculations are made for electrons in the field of atomic hydrogen and the phaseshifts are compared with those obtained using a modified form of the DWPO code of McDowell and collaborators: for small wavenumbers our approach avoids numerical instabilities otherwise present. Comparison is also made with phaseshifts calculated using local equivalent-exchange potentials and it is found that these are inaccurate at small wavenumbers. Extension of our method to the case of atoms having other than s-type outer shells is dicussed.
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"date_created": "2026-03-02T18:01:52.496000Z",
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"abstract": "It is shown how the Canonical Function approach can be used to obtain\naccurate solutions for the distorted wave problem taking account of direct\nstatic and polarisation potentials and exact non-local exchange. Calculations\nare made for electrons in the field of atomic hydrogen and the phaseshifts are\ncompared with those obtained using a modified form of the DWPO code of McDowell\nand collaborators: for small wavenumbers our approach avoids numerical\ninstabilities otherwise present. Comparison is also made with phaseshifts\ncalculated using local equivalent-exchange potentials and it is found that\nthese are inaccurate at small wavenumbers. Extension of our method to the case\nof atoms having other than s-type outer shells is dicussed.",
"arxiv_id": "quant-ph/0206107",
"authors": [
"K. Fakhreddine",
"R. J. Tweed",
"G. Nguyen Vien",
"C. Tannous",
"J. Langlois",
"O. Robaux"
],
"categories": [
"quant-ph"
],
"title": "Distorted Waves with Exact Non-Local Exchange: a Canonical Function Approach",
"url": "https://arxiv.org/abs/quant-ph/0206107"
},
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