2011 Fiscal Year Final Research Report
Highly accurate theoretical spectroscopy for inner-shell electronic processes
| Project/Area Number |
21350019
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | National Institutes of Natural Sciences Okazaki Research Facilities |
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Principal Investigator |
EHARA Masahiro 大学共同利用機関法人自然科学研究機構(岡崎共通研究施設), 計算科学研究センター, 教授 (80260149)
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| Co-Investigator(Kenkyū-buntansha) |
KOSUGI Nobuhiro 分子科学研究所, 光分子科学研究領域, 教授 (20153546)
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| Project Period (FY) |
2009 – 2011
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| Keywords | 内殻電子過程 / 電子状態理論 / 共鳴状態 / オージェ過程 / 表面光化学 |
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| Research Abstract |
We performed theoretical inner-shell spectroscopy in which new inner-shell electronic states and complex electronic states were investigated by analyzing the recent experimental observations obtained using free electron laser and multiple coincidence spectroscopy. We proposed the double core-hole spectroscopy and established the chemical concept of the relaxation and inter-atomic relaxation energies in the double core-hole states. We also developed accurate electronic structure theories for describing multi-electron processes and resonance states which are relevant for the inner-shell electronic processes. We proposed the method for analyzing the photoelectron spectroscopy of surface-molecule interacting system and elusidated the importance of electron transfer.
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Research Products
(18 results)
