Melting of neon clusters: path integral Monte Carlo simulations

Chakravarty, Charusita (1995) Melting of neon clusters: path integral Monte Carlo simulations Journal of Chemical Physics, 102 (2). pp. 956-962. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v102/i2/p956_...

Related URL: http://dx.doi.org/10.1063/1.469163

Abstract

Quantum effects on melting of magic number neon clusters Ne13 and Ne19 are studied using Fourier path integral Monte Carlo simulations. The cluster phase transition temperatures are determined from the behavior of the specific heat and the Lindemann index with temperature. Quantum effects are shown to lower transition temperatures by approximately 10%. Quantum and classical potential energies and structural distribution functions are examined in order to understand the quasiclassical behavior of neon clusters.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:6097
Deposited On:19 Oct 2010 10:37
Last Modified:19 Oct 2010 10:37

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