Theory of Electron Dynamics in a Dissipative System and its Application to Material Science
| Project/Area Number |
18066019
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Institute for Molecular Science |
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Principal Investigator |
NOBUSADA Katsuyuki Institute for Molecular Science, 理論・計算分子科学研究領域, 准教授 (50290896)
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| Co-Investigator(Kenkyū-buntansha) |
YASUIKE Tomokazu 分子科学研究所, 理論・計算分子科学研究領域, 助教 (10419856)
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| Project Period (FY) |
2006 – 2009
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| Project Status |
Completed (Fiscal Year 2009)
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| Budget Amount *help |
¥16,100,000 (Direct Cost: ¥16,100,000)
Fiscal Year 2009: ¥2,700,000 (Direct Cost: ¥2,700,000)
Fiscal Year 2008: ¥4,500,000 (Direct Cost: ¥4,500,000)
Fiscal Year 2007: ¥4,900,000 (Direct Cost: ¥4,900,000)
Fiscal Year 2006: ¥4,000,000 (Direct Cost: ¥4,000,000)
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| Keywords | 電子ダイナミックス / 量子散逸 / 電子数揺らぎ / 電子的コヒーレンス / 量子散 |
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| Research Abstract |
We have developed a simple embedded-cluster model approach to investigate adsorbate-surface systems. In our approach, the physically relevant subsystem is described as an open-quantum system by considering a model cluster subject to an outgoing-wave boundary condition at the edge.
A generalized theoretical description of a light-matter interaction beyond a dipole approximation is developed on the basis of the multipolar Hamiltonian with the aim of understanding the near-field excitation of molecules at the 1 nm scale.
We have theoretically demonstrated that circularly polarized laser pulses induce electric currents and magnetic moments in ring-shaped molecules Na10 and benzene. The time-dependent adiabatic local density approximation is employed for this purpose, solving the time-dependent Kohn-Sham equation in real-space and real-time.
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Report
(6 results)
Research Products
(74 results)
