Natural orbital functional theory and pairing correlation effects in electron momentum density
Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A natural orbital density functional theory based on the antisymmetrized geminal product provides these occupation numbers and the corresponding electron momentum density. A practical implem...
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| Published in: | Физика низких температур |
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| Date: | 2014 |
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| Format: | Article |
| Language: | English |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2014
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/119449 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Natural orbital functional theory and pairing correlation effects in electron momentum density / B. Barbiellini // Физика низких температур. — 2014. — Т. 40, № 4. — С. 414-419. — Бібліогр.: 61 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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Barbiellini, В. 2017-06-07T03:41:43Z 2017-06-07T03:41:43Z 2014 Natural orbital functional theory and pairing correlation effects in electron momentum density / B. Barbiellini // Физика низких температур. — 2014. — Т. 40, № 4. — С. 414-419. — Бібліогр.: 61 назв. — англ. 0132-6414 PACS 71.10.–w, 71.15.–m, 74.72.–h, 71.10.Ca https://nasplib.isofts.kiev.ua/handle/123456789/119449 Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A natural orbital density functional theory based on the antisymmetrized geminal product provides these occupation numbers and the corresponding electron momentum density. A practical implementation of this theory approximates the natural orbitals by the Kohn–Sham orbitals and uses a mean-field approach to estimate pairing amplitudes leading to corrections for the independent particle model. The method is applied to weakly doped La₂CuO₄. This work is supported by the US Department of Energy, Office of Science, Basic Energy Sciences Contract No. DE-FG02–07ER46352. It has also benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), theory support at the Advanced Light Source, Berkeley, and the allocation of computer time at NERSC through Grant No. DE-AC02–05CH11231. en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур Электронная структура и Ферми поверхность Natural orbital functional theory and pairing correlation effects in electron momentum density Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Natural orbital functional theory and pairing correlation effects in electron momentum density |
| spellingShingle |
Natural orbital functional theory and pairing correlation effects in electron momentum density Barbiellini, В. Электронная структура и Ферми поверхность |
| title_short |
Natural orbital functional theory and pairing correlation effects in electron momentum density |
| title_full |
Natural orbital functional theory and pairing correlation effects in electron momentum density |
| title_fullStr |
Natural orbital functional theory and pairing correlation effects in electron momentum density |
| title_full_unstemmed |
Natural orbital functional theory and pairing correlation effects in electron momentum density |
| title_sort |
natural orbital functional theory and pairing correlation effects in electron momentum density |
| author |
Barbiellini, В. |
| author_facet |
Barbiellini, В. |
| topic |
Электронная структура и Ферми поверхность |
| topic_facet |
Электронная структура и Ферми поверхность |
| publishDate |
2014 |
| language |
English |
| container_title |
Физика низких температур |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| format |
Article |
| description |
Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A natural orbital density functional theory based on the antisymmetrized geminal product provides these occupation numbers and the corresponding electron momentum density. A practical implementation of this theory
approximates the natural orbitals by the Kohn–Sham orbitals and uses a mean-field approach to estimate pairing amplitudes leading to corrections for the independent particle model. The method is applied to weakly doped La₂CuO₄.
|
| issn |
0132-6414 |
| url |
https://nasplib.isofts.kiev.ua/handle/123456789/119449 |
| citation_txt |
Natural orbital functional theory and pairing correlation effects in electron momentum density / B. Barbiellini // Физика низких температур. — 2014. — Т. 40, № 4. — С. 414-419. — Бібліогр.: 61 назв. — англ. |
| work_keys_str_mv |
AT barbielliniv naturalorbitalfunctionaltheoryandpairingcorrelationeffectsinelectronmomentumdensity |
| first_indexed |
2025-12-07T20:01:48Z |
| last_indexed |
2025-12-07T20:01:48Z |
| _version_ |
1850881037992722432 |