Ab initio calculation of the effective inter-atomic pair potential in liquid helium

作者：Tian Chun Ling^*; Liu Fu Sheng; Cai Ling Cang; Jing Fu Qian

来源：Chinese Journal of High Pressure Physics, 2006, 20(1): 15-19.

• Ab initio calculation
• Atomic cluster
• Average coordination model
• Liquid helium
• Many body series expansion approach
• Pair potential

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.

• 出版日期2006
• 单位西南大学; 西南交通大学