Theoretical studies on ionization processes of transition metal sandwich clusters and acetylene molecule 遷移金属サンドイッチクラスターおよびアセチレンのイオン化過程に関する理論的研究
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著者
書誌事項
- タイトル
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Theoretical studies on ionization processes of transition metal sandwich clusters and acetylene molecule
- タイトル別名
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遷移金属サンドイッチクラスターおよびアセチレンのイオン化過程に関する理論的研究
- 著者名
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安池, 智一
- 著者別名
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ヤスイケ, トモカズ
- 学位授与大学
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慶応義塾大学
- 取得学位
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博士 (理学)
- 学位授与番号
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甲第1789号
- 学位授与年月日
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2000-03-23
注記・抄録
博士論文
目次
- 論文目録 / (0001.jp2)
- Contents / p3 (0007.jp2)
- 1 General Introduction / p7 (0011.jp2)
- 1.1 Watching the World / p7 (0011.jp2)
- 1.2 Electronic Shell Structure of Molecules and Koopmans' Theorem / p8 (0012.jp2)
- 1.3 Photoionization Process and Resonance Phenomena / p10 (0014.jp2)
- 1.4 Concrete Subjects of This Thesis / p13 (0017.jp2)
- 2 Ionization Energies and Bonding Scheme of Multiple-Decker Sandwich Clusters:Mn(C₆H₆)n₊₁ / p16 (0020.jp2)
- 2.1 Introduction / p17 (0021.jp2)
- 2.2 Computational Details / p18 (0022.jp2)
- 2.3 Results and Discussion / p19 (0023.jp2)
- 2.4 Conclusion / p47 (0051.jp2)
- 3 Why do vanadium atoms form multiple-decker sandwich clusters with benzene molecules efficiently? / p48 (0052.jp2)
- 3.1 Introduction / p49 (0053.jp2)
- 3.2 Methodology / p51 (0055.jp2)
- 3.3 Results / p53 (0057.jp2)
- 3.4 Discussion / p62 (0066.jp2)
- 3.5 Conclusion / p74 (0078.jp2)
- 4 Valence Photoionization and Autoionizing Resonance States of Acetylene Molecule / p75 (0079.jp2)
- 4.1 Introduction / p75 (0079.jp2)
- 4.2 Method / p77 (0081.jp2)
- 4.3 Results and Discussion / p81 (0085.jp2)
- 4.4 Conclusion / p97 (0101.jp2)
- A Theoretical Basis of Complex Scaling / p108 (0112.jp2)
- A.1 Analytical Perturbation Theory / p108 (0112.jp2)
- A.2 Dilation Analytic Potential / p108 (0112.jp2)
- A.3 Spectrum of H(p) / p109 (0113.jp2)
- A.4 Resolvent of H and H(p) / p111 (0115.jp2)
- B Frequency Dependent Polarizability and Total Photoionization Cross Section / p112 (0116.jp2)
- B.1 Linear Response and Double Time Retarded Green's Function / p112 (0116.jp2)
- B.2 Frequency Dependent Polarizability / p114 (0118.jp2)
- B.3 Spectral Representation / p115 (0119.jp2)
- B.4 Frequency Dependent Polarizability and Total Photoionization Cross Section / p115 (0119.jp2)
- C Three State Model Describing the Vibrational State Dependence of Photoionization Including an Autoionizing Process / p117 (0121.jp2)
- C.1 Three State Model and Partition of Hamiltonian / p117 (0121.jp2)
- C.2 Derivation of the Expression for the Vibrational State Dependence of Photoionization Probability / p119 (0123.jp2)
