Semi-infinite metal: perturbative treatment based on semi-infinite jellium
Energy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal element...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2008-12-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.11.4.641 |
| _version_ | 1818136941468581888 |
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| author | P.P. Kostrobij B.M. Markovych |
| author_facet | P.P. Kostrobij B.M. Markovych |
| author_sort | P.P. Kostrobij |
| collection | DOAJ |
| description | Energy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal elements (electron distribution functions) are necessary. In a specific case of a local pseudo-potential within the first order of perturbation theory, our results for energy coincide with those widely applicable in the density functional theory. |
| first_indexed | 2024-12-11T09:48:24Z |
| format | Article |
| id | doaj.art-ea8ba0c549db4181abc57a2be082d4fb |
| institution | Directory Open Access Journal |
| issn | 1607-324X |
| language | English |
| last_indexed | 2024-12-11T09:48:24Z |
| publishDate | 2008-12-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-ea8ba0c549db4181abc57a2be082d4fb2022-12-22T01:12:28ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2008-12-01114641Semi-infinite metal: perturbative treatment based on semi-infinite jelliumP.P. KostrobijB.M. MarkovychEnergy of electronic subsystem of semi-infinite metal is presented in the form of an expansion in powers of pseudo-potential. It is shown that generally electron many-particle density matrices are necessary for the energy calculation, whereas in case of a local pseudo-potential only diagonal elements (electron distribution functions) are necessary. In a specific case of a local pseudo-potential within the first order of perturbation theory, our results for energy coincide with those widely applicable in the density functional theory.http://dx.doi.org/10.5488/CMP.11.4.641partition functionpseudo-potentialmany-particle density matrix |
| spellingShingle | P.P. Kostrobij B.M. Markovych Semi-infinite metal: perturbative treatment based on semi-infinite jellium Condensed Matter Physics partition function pseudo-potential many-particle density matrix |
| title | Semi-infinite metal: perturbative treatment based on semi-infinite jellium |
| title_full | Semi-infinite metal: perturbative treatment based on semi-infinite jellium |
| title_fullStr | Semi-infinite metal: perturbative treatment based on semi-infinite jellium |
| title_full_unstemmed | Semi-infinite metal: perturbative treatment based on semi-infinite jellium |
| title_short | Semi-infinite metal: perturbative treatment based on semi-infinite jellium |
| title_sort | semi infinite metal perturbative treatment based on semi infinite jellium |
| topic | partition function pseudo-potential many-particle density matrix |
| url | http://dx.doi.org/10.5488/CMP.11.4.641 |
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