Quantum delocalization and cluster melting

被引:31
作者
Chakravarty, C
机构
[1] Department of Chemistry, Indian Institute of Technology-Delhi, Hauz Khas
关键词
D O I
10.1063/1.469852
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Quantum effects on the cluster solid-liquid transition (CSLT) are studied by using the Fourier path integral Monte Carlo technique to simulate quantum Lennard-Jones clusters. Quantum delocalization effects are shown to induce a CSLT transition analogous to the thermal cluster melting transition. The CSLT should therefore be represented in terms of a two-dimensional phase diagram with the reduced temperature and the de Beer parameter indexing the relative magnitudes of thermal and quantum effects respectively. (C) 1995 American Institute of Physics.
引用
收藏
页码:10663 / 10668
页数:6
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