Quantum solvation and molecular rotations in superfluid helium clusters
Quantum solvation and molecular rotations in superfluid helium clusters
复制标题
超流氦团簇中的量子溶剂化和分子旋转
DOI：
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发表时间：
2000
期刊：
影响因子：
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通讯作者：
K. B. Whaley
中科院分区：
文献类型：
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作者：
Yongkyung Kwon;P. Huang;M. Patel;D. Blume;K. B. Whaley
对嵌入液氦自由团簇中的分子进行的光谱实验揭示了一些不寻常的特征，这些特征来自这种纳米级基质环境的独特量子行为。玻色子4He团簇中小分子的表观自由旋转是这些特征中实验记录最多的一个。在这篇焦点文章中，我们将这一现象置于过去十年来该领域实验和理论进展的背景下，并描述了它对超流体中量子溶剂化的性质和动力学后果的微观洞察。我们提供了一个全面的理论分析，这是基于统一的扩散和路径积分蒙特卡罗计算得出的结论。这些微观量子计算阐明了经验自由转子光谱的起源，以及它与量子纳米溶剂的玻色子性质和超流体性质的关系。分子转动的自由转子行为是预先确定的。
Spectroscopic experiments on molecules embedded in free clusters of liquid helium reveal a number of unusual features deriving from the unique quantum behavior of this nanoscale matrix environment. The apparent free rotation of small molecules in bosonic 4He clusters is one of the experimentally most well documented of these features. In this Focus article, we set this phenomenon in the context of experimental and theoretical advances in this field over the last ten years, and describe the microscopic insight which it has provided into the nature and dynamic consequences of quantum solvation in a superfluid. We provide a comprehensive theoretical analysis which is based on a unification of conclusions drawn from diffusion and path integral Monte Carlo calculations. These microscopic quantum calculations elucidate the origin of the empirical free rotor spectrum, and its relation to the boson character and superfluid nature of the quantum nanosolvent. The free rotor behavior of the molecular rotation is pre...