Quantum delocalization and cluster melting

Chakravarty, Charusita (1995) Quantum delocalization and cluster melting Journal of Chemical Physics, 103 (24). pp. 10663-106668. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v103/i24/p106...

Related URL: http://dx.doi.org/10.1063/1.469852


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 Boer parameter indexing the relative magnitudes of thermal and quantum effects respectively.

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