WEKO3
アイテム
非経験的原子構造計算の理論と数値解法
http://hdl.handle.net/10295/1307
http://hdl.handle.net/10295/1307d1f8d68e-1ef5-432e-8104-b63f1a8837b5
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
sozai11b11.pdf (1.9 MB)
|
|
| Item type | 学術雑誌論文 / Journal Article(1) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2008-10-31 | |||||||||
| タイトル | ||||||||||
| タイトル | 非経験的原子構造計算の理論と数値解法 | |||||||||
| 言語 | ja | |||||||||
| タイトル | ||||||||||
| タイトル | Theory and Numerical Computation Method of Non-Empirical Atomic Structure Calculation | |||||||||
| 言語 | en | |||||||||
| 言語 | ||||||||||
| 言語 | jpn | |||||||||
| 主題 | ||||||||||
| 主題Scheme | Other | |||||||||
| 主題 | Atomic Structure Calculations | |||||||||
| 主題 | ||||||||||
| 主題Scheme | Other | |||||||||
| 主題 | Theories and Numerical Methods | |||||||||
| 主題 | ||||||||||
| 主題Scheme | Other | |||||||||
| 主題 | Hartree-Fock Theory | |||||||||
| 主題 | ||||||||||
| 主題Scheme | Other | |||||||||
| 主題 | Density Functional Theory | |||||||||
| 主題 | ||||||||||
| 主題Scheme | Other | |||||||||
| 主題 | Relativistic Effects | |||||||||
| 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 | |||||||||
| 作成者 |
成田, 章
× 成田, 章
|
|||||||||
| 内容記述 | ||||||||||
| 内容記述タイプ | Abstract | |||||||||
| 内容記述 | The various methods of the non-empirical atomic structure calculations have been so far extensively developed. Their representatives are the ThomasFermi, the Hartree, the Hartree-Fock and the density functional methods. These methods have been also applied to the understandings of the physical and the chemical properties for the molecules and the solids. In this review article, mainly the Hartree-Fock and the density functional theories for the atoms are described, and furthermore the methods for the numerical calculations of the basic equations are given. The fundamental physical pictures in the many electron systems are almost included in the HF theory, and the theory is the most standard one in the many body problems even at the present day. The density functional theory is a newer one and originates from the ThomasFermi theory, and has merits that the numerical calculations in this method are very easy compared to the HF method and give the similar accuracy to that of the HF method. The studies to improve and to develop the density functional theory are now still continuing. On the other hand, since the relativistic effects are important for the heavier atoms such as the rare earth and the actinide, the fundamentals for the relativistic atomic structure calculations are also given. | |||||||||
| 言語 | en | |||||||||
| 出版タイプ | ||||||||||
| 出版タイプ | VoR | |||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||
| 書誌情報 |
素材物性学雑誌 巻 11, 号 2, p. 102-130, 発行日 1998-12-01 |
|||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 09199853 | |||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | NCID | |||||||||
| 収録物識別子 | AN10140273 | |||||||||
| 出版者 | ||||||||||
| 出版者 | 日本素材物性学会 | |||||||||
