MELTING OF NEON CLUSTERS - PATH-INTEGRAL MONTE-CARLO SIMULATIONS

被引：42
|
作者：
CHAKRAVARTY, C [1 ]
机构：
[1] UNIV CAMBRIDGE,DEPT CHEM,CAMBRIDGE CB2 1EW,ENGLAND
来源：
JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 02期
关键词：
D O I：
10.1063/1.469163
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 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. © 1995 American Institute of Physics.
引用
收藏
页码：956 / 962
页数：7
相关论文
共 50 条
  • [21] PATH-INTEGRAL MONTE-CARLO SIMULATION OF THE STRUCTURE OF DEUTERIUM IN THE CRITICAL REGION
    NEUMANN, M
    ZOPPI, M
    PHYSICAL REVIEW A, 1991, 44 (04): : 2474 - 2483
  • [22] EQUATION OF STATE OF THE HYDROGEN PLASMA BY PATH-INTEGRAL MONTE-CARLO SIMULATION
    PIERLEONI, C
    CEPERLEY, DM
    BERNU, B
    MAGRO, WR
    PHYSICAL REVIEW LETTERS, 1994, 73 (16) : 2145 - 2149
  • [23] PATH-INTEGRAL MONTE-CARLO STUDY OF THE HARD-DISK SOLID
    LEUNG, PW
    CHESTER, GV
    PHYSICAL REVIEW B, 1991, 43 (01): : 735 - 751
  • [24] PATH-INTEGRAL MONTE-CARLO STUDY OF A LITHIUM IMPURITY IN PARA-HYDROGEN - CLUSTERS AND THE BULK LIQUID
    SCHARF, D
    MARTYNA, GJ
    KLEIN, ML
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (11): : 8997 - 9012
  • [25] DETERMINATION OF EXCESS GIBBS FREE-ENERGY OF QUANTUM MIXTURES BY PATH-INTEGRAL MONTE-CARLO SIMULATIONS
    LIU, A
    BECK, TL
    MOLECULAR PHYSICS, 1995, 86 (02) : 225 - 233
  • [26] EXTRAPOLATION TO INFINITE TROTTER NUMBER IN PATH-INTEGRAL MONTE-CARLO SIMULATIONS OF SOLID-STATE SYSTEMS
    CUCCOLI, A
    MACCHI, A
    PEDROLLI, G
    TOGNETTI, V
    VAIA, R
    PHYSICAL REVIEW B, 1995, 51 (18): : 12369 - 12379
  • [27] Color path-integral Monte-Carlo simulations of quark-gluon plasma: Thermodynamic and transport properties
    Filinov, V. S.
    Ivanov, Yu. B.
    Fortov, V. E.
    Bonitz, M.
    Levashov, P. R.
    PHYSICAL REVIEW C, 2013, 87 (03):
  • [28] GIBBS-ENSEMBLE PATH-INTEGRAL MONTE-CARLO SIMULATIONS OF A MIXED QUANTUM-CLASSICAL FLUID
    SCHNEIDER, F
    MARX, D
    NIELABA, P
    PHYSICAL REVIEW E, 1995, 51 (05): : 5162 - 5165
  • [29] Direct Path-Integral Monte-Carlo simulations of H5+/D5+ clusters: thermal equilibrium state properties
    Prosmiti, R.
    Barragan, P.
    Perez de Tudela, R.
    Villarreal, P.
    Delgado-Barrio, G.
    XXVII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC COLLISIONS (ICPEAC 2011), PTS 1-15, 2012, 388
  • [30] PATH-INTEGRAL MONTE-CARLO STUDY OF CRYSTALLINE LENNARD-JONES SYSTEMS
    MUSER, MH
    NIELABA, P
    BINDER, K
    PHYSICAL REVIEW B, 1995, 51 (05): : 2723 - 2731
12345