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ESTIMATION OF BOUNDS OF ORBITAL ENERGIES IN THE HUECKEL MODEL
https://shotoku.repo.nii.ac.jp/records/52
https://shotoku.repo.nii.ac.jp/records/5276a0e866-f146-47c7-8e08-fdb073439d7a
名前 / ファイル | ライセンス | アクション |
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KJ00000702171.pdf (443.3 kB)
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Item type | [ELS]紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2017-03-17 | |||||
タイトル | ||||||
タイトル | ESTIMATION OF BOUNDS OF ORBITAL ENERGIES IN THE HUECKEL MODEL | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
著者 |
ISIHARA, MAKOTO
× ISIHARA, MAKOTO |
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著者所属(日) | ||||||
抄録(英) | ||||||
内容記述 | This paper describes an attempt to improve estimation of bounds of orbital energies in the Huckel model. New expressions for handy estimation of the bounds are presented. The handy estimation uses only elementary graph-theoretical quantities as the number of sites and that of bonds. Furthermore, the expressoins are extended to enable us to estimate the bounds, in principle, as exactly as required. Numerical examples for typical π-electron systems are given to illustrate how the expressions work. | |||||
書誌情報 |
Review of economics and information studies en : Review of economics and information studies 巻 3, 号 1/2/3/4, p. 650-658, 発行日 2003-03-31 |
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雑誌書誌ID | ||||||
収録物識別子 | AA11833171 | |||||
ISSN | ||||||
収録物識別子 | 13453998 |