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Quantum Structural Fluctuation in Molecular Hydrogen Clusters
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- MIURA Shinichi
- Faculty of Mathematics and Physics, Kanazawa University, Kakuma, Kanazawa 920-1192
Bibliographic Information
- Other Title
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- 水素分子クラスターの量子構造ゆらぎ
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Description
<p>Nuclear quantum effect in molecular hydrogens plays an important role to describe the ground state of hydrogen clusters. As an example, we first show ground state properties of (H2)13; the standard harmonic approximation fails to describe the ground state properties of the cluster, and the wavefunction is found to be delocalized in configuration space covering various local minima of potential energy. We also show chemical potential μN as a function of the cluster size for N ≤ 20. We find a minimum of μN at N=13 in the size dependence, showing the magic number stability.</p>
Journal
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 15 (5), 136-142, 2016
Society of Computer Chemistry, Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390282680154674432
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- NII Article ID
- 130006892700
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- ISSN
- 13473824
- 13471767
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- Text Lang
- ja
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- Data Source
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- JaLC
- Crossref
- CiNii Articles
- OpenAIRE
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- Abstract License Flag
- Disallowed