Structure Factor and Pair Correlation Function of Liquid Para-H2 and Liquid Hg Using Reverse Monte Carlo Simulation

被引:0
作者
Chandrasekaran, S. [1 ]
机构
[1] Deemed Univ, Gandhigram Rural Inst, Dept Phys, Gandhigram 624302, Tamil Nadu, India
关键词
RMC; Liquid H-2; Liquid Hg; Structure Factor; Pair Correlation Function; STATIC STRUCTURE FACTOR; HYDROGEN; MERCURY;
D O I
10.1166/jctn.2012.2129
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present a theoretical study on the Static structure factor and the Radial Distribution Functions or Pair correlation functions for Liquid H-2 and Liquid Hg using Reverse Monte Carlo (RMC) simulations technique. We found that Neutron total structure factor S(k) using RMC for Liquid H-2 is good concord with the Quantum mechanical simulation such as Path Integral Monte Carlo simulation (PIMC) and also we found that for Liquid Hg. RMC results are indistinguishable and they are in good agreement with experimental studies. For Liquid H-2 the radial distribution function goes to zero at very short r that confirms the validity of Pauli's exclusive principle.
引用
收藏
页码:986 / 988
页数:3
相关论文
共 8 条
  • [1] Neutron diffraction on mercury: density dependence of the static structure factor
    Bafile, U
    Hochgesand, K
    Winter, R
    Barocchi, F
    Convert, P
    Hansen, T
    Fischer, HE
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 1999, 250 : 35 - 39
  • [2] Quantum effects on liquid dynamics as evidenced by the presence of well-defined collective excitations in liquid para-hydrogen
    Bermejo, FJ
    Kinugawa, K
    Cabrillo, C
    Bennington, SM
    Fåk, B
    Fernández-Díaz, MT
    Verkerk, P
    Dawidowski, J
    Fernández-Perea, R
    [J]. PHYSICAL REVIEW LETTERS, 2000, 84 (23) : 5359 - 5362
  • [3] BOCKER J, 1996, COND MATT PHYS, V8, P17
  • [4] The static structure factor of hydrogen in the liquid state
    Celli, M.
    Formisano, F.
    Guarini, E.
    Magli, R.
    Zoppi, M.
    Bafile, U.
    Cuello, G. J.
    Neumann, M.
    [J]. PHYSICA B-CONDENSED MATTER, 2004, 350 (1-3) : E1067 - E1069
  • [5] AN X-RAY INVESTIGATION OF STRUCTURE OF HG22+ ION IN SOLUTION
    JOHANSSON, G
    [J]. ACTA CHEMICA SCANDINAVICA, 1966, 20 (02): : 553 - +
  • [6] MCGREEVY RL, 1992, ANNU REV MATER SCI, V22, P217
  • [7] The structure of expanded mercury
    Nield, VM
    Verronen, PT
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1998, 10 (37) : 8147 - 8153
  • [8] MCGR: An inverse method for deriving the pair correlation function from the structure factor
    Pusztai, L
    McGreevy, RL
    [J]. PHYSICA B, 1997, 234 : 357 - 358