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Chinese Journal of High Pressure Physics  > 2006  >  20(1): 15-19 .
TIAN Chun-Ling, LIU Fu-Sheng, CAI Ling-Cang, JING Fu-Qian. Ab initio Calculation of the Effective Inter-Atomic Pair Potential in Liquid Helium[J]. Chinese Journal of High Pressure Physics, 2006, 20(1): 15-19 . doi: 10.11858/gywlxb.2006.01.004
Citation: TIAN Chun-Ling, LIU Fu-Sheng, CAI Ling-Cang, JING Fu-Qian. Ab initio Calculation of the Effective Inter-Atomic Pair Potential in Liquid Helium[J]. Chinese Journal of High Pressure Physics, 2006, 20(1): 15-19 . doi: 10.11858/gywlxb.2006.01.004
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Ab initio Calculation of the Effective Inter-Atomic Pair Potential in Liquid Helium

doi: 10.11858/gywlxb.2006.01.004
  • 1.

    Department of Physics, Southwest Normal University, Chongqing 400715, China;

  • 2.

    Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang 621900, China;

  • 3.

    Laboratory of High Pressure Physics, Southwest Jiaotong University, Sichuan 610031, China

More Information
  • Corresponding author: TIAN Chun-Ling
  • Received Date: 21 Oct 2004
  • Rev Recd Date: 10 Jan 2005
  • Publish Date: 05 Mar 2006
    Abstract
  • Ab initio Hartree-Fock self-consistent-field (SCF) technique and the atomic cluster method have been applied to study the effective inter-atomic pair potential in liquid helium. The atomic cluster (He)9 with BCC geometry (only taking the first neighbors into account) is used to stimulate the average atomic configuration in liquid states. A theoretical effective potential is derived based on the new average coordination model and many-body series expansion approach. The obtained pair potential is very close to the experimental calibrated Exp-6 potential, by which both the isotherm and Hugoniot of liquid helium are well described.

     

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