Theoretical study on molecular processes in quantum nanodroplets
| Project/Area Number |
19550026
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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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 | Kanazawa University |
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Principal Investigator |
MIURA Shinichi Kanazawa University, 数物科学系, 准教授 (10282865)
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| Project Period (FY) |
2007 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2008: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2007: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Keywords | 量子クラスター / ヘリウム液滴 / 超流動 / 経路積分法 / 液体ヘリウム / ナノ液滴 / 経路積分 / モンテカルロ法 / 硫化カルボニル / 量子シミュレーション / 量子シミュレーション法 / 原子・分子物理学 / 計算物理 / 化学物理 / 低温物性 / 物性理論 / クラスター / ヘリウム |
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| Research Abstract |
Path integral hybrid Monte Carlo calculations have been performed for doped helium clusters. It was demonstrated that the rotational fluctuation of the dopant shows qualitative change with increasing the size of the cluster, which is associated with the onset of the superfluidity. We also computationally realized the oscillatory behavior in the size dependence of the rotational constant in the medium size range, 20<N<70. On the other hand, a novel quantum simulation method has been developed to calculate the exact ground state of many-body systems. This is called the variational path integral molecular dynamics method. This is a promising method for large-scale quantum simulations.
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Report
(6 results)
Research Products
(39 results)
