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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| Опубліковано в: | Физика низких температур |
|---|---|
| Дата: | 2014 |
| ISSN: | 0132-6414 |
| Автор: | |
| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2014
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| Теми: | |
| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/119449 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | 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. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862737816849481728 |
|---|---|
| author | Barbiellini, В. |
| author_facet | Barbiellini, В. |
| 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. |
| collection | DSpace DC |
| container_title | Физика низких температур |
| 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.
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| first_indexed | 2025-12-07T20:01:48Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-119449 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 0132-6414 |
| language | English |
| last_indexed | 2025-12-07T20:01:48Z |
| publishDate | 2014 |
| publisher | Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| record_format | dspace |
| spelling | 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 |
| spellingShingle | Natural orbital functional theory and pairing correlation effects in electron momentum density Barbiellini, В. Электронная структура и Ферми поверхность |
| title | 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_short | 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 |
| topic | Электронная структура и Ферми поверхность |
| topic_facet | Электронная структура и Ферми поверхность |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/119449 |
| work_keys_str_mv | AT barbielliniv naturalorbitalfunctionaltheoryandpairingcorrelationeffectsinelectronmomentumdensity |