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Point transformations applied to density-functional calculations
http://hdl.handle.net/10258/862
http://hdl.handle.net/10258/8621b99346b-9b67-47ff-8f9c-f3318b0db65e
名前 / ファイル | ライセンス | アクション |
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71_PhysRevA41_1990_1274.pdf (748.0 kB)
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Item type | 学術雑誌論文 / Journal Article.(1) | |||||
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公開日 | 2012-03-15 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Point transformations applied to density-functional calculations | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
著者 |
古賀, 俊勝
× 古賀, 俊勝 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The method of point transformations enables us to generate an unknown wave function Ψρ({rk}) from a given electron density ρ(r) based on a reference wave function Ψ0({rk}) initially chosen for the system. The generated wave function Ψρ({rk}) can be used to evaluate the energy Eρ associated with the given density ρ(r). This procedure constitutes a rigorous density-functional theory, if the density ρ(r) and reference function Ψ0({rk}) are varied. Within the Hartree-Fock framework numerical applications are presented for the ground-state helium atom and its analogs both in position and momentum spaces. Simple position and momentum densities are reported that well reproduce the Hartree-Fock limit energy. A few calculations beyond the Hartree-Fock approximation are also given. | |||||
言語 | en | |||||
書誌情報 |
en : Physical review. Ser. 3. A, Atomic, molecular, and optical physics 巻 93, 号 5, p. 3720-3722, 発行日 1990-02-01 |
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出版者 | ||||||
言語 | en | |||||
出版者 | American Physical Society | |||||
出版者版へのリンク | ||||||
10.1103/PhysRevA.41.1274 | ||||||
https://doi.org/10.1103/PhysRevA.41.1274 | ||||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1103/PhysRevA.41.1274 | |||||
日本十進分類法 | ||||||
主題Scheme | NDC | |||||
主題 | 431.19 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 10502947 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA10764867 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Copyright 1990 American Physical Society. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Physical Society. The following article appeared in Physical Review A. 41(3), 1274 (1990) | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf |