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非対称系に対するDVR法の拡張と3原子系への応用
http://hdl.handle.net/10458/237
http://hdl.handle.net/10458/2370a5f7e77-281e-4e43-b99a-b04a3ac512eb
名前 / ファイル | ライセンス | アクション |
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KJ00002419396.pdf (549.9 kB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2007-06-28 | |||||
タイトル | ||||||
言語 | ja | |||||
タイトル | 非対称系に対するDVR法の拡張と3原子系への応用 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Improvement of DVR method in non-symmetric system and its application to atom-diatom system | |||||
言語 | ||||||
言語 | jpn | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | Chemical reaction, Quantum mechanical, non-symmetric, Hyperspherical coordinates, Potential energy surface, Discrete Variable Representation (DVR) | |||||
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 | departmental bulletin paper | |||||
その他(別言語等)のタイトル | ||||||
その他のタイトル | ヒタイショウケイ ニ タイスル DVRホウ ノ カクチョウ ト 3ゲンシケイ エノ オウヨウ | |||||
著者 |
大久保, 義昌
× 大久保, 義昌× 大崎, 明彦× Ohkubo, Yosimasa× 大崎, 明彦 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Abstract Improved DVR (Discrete Variable Representation) method is presented in order to study the re- arrangement of generic 3-atomic systems A+BC. The conventional DVR method has a disadvantage, which should not be applied in cyclic boundary conditions without symmetry. Therefore the adiabatic potentials for generic 3-atomic systems are calculated by time-consuming direct numerical integration of the potential matrix elements. Our improved DVR method is applied for D+H2, T+HD systems. The hyperspherical coordinates are used in order to carry out accurate three-dimensional quantum mechanical calculations for the total angular momentum J=0. |
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言語 | en | |||||
書誌情報 |
ja : 宮崎大学工学部紀要 en : Memoirs of Faculty of Engineering, University of Miyazaki 巻 32, p. 17-23, 発行日 2003-07 |
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出版者 | ||||||
言語 | ja | |||||
出版者 | 宮崎大学工学部 | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | Faculty of Engineering, University of Miyazaki | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 05404924 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00732558 | |||||
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 |