PAIR-HYPERNETTED-CHAIN CLOSURE FOR 3-BODY POTENTIALS - RESULTS FOR ARGON WITH THE AXILROD-TELLER TRIPLE-DIPOLE POTENTIAL

被引:37
作者
ATTARD, P [1 ]
机构
[1] UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER V6T 1Y6, BC, CANADA
来源
PHYSICAL REVIEW A | 1992年 / 45卷 / 06期
关键词
D O I
10.1103/PhysRevA.45.3659
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The hypernetted-chain closure is modified to include three-body potentials. The latter is reduced to a state-dependent effective pair potential. Explicit expressions for the Helmholtz free energy and for the chemical potential are derived for the modified closure. The approximation is shown to be relatively self-consistent and in qualitative agreement with perturbation results. An argonlike fluid is discussed using the Lennard-Jones pair potential and the Axilrod-Teller triple-dipole potential. In agreement with earlier work, it is found that the effective three-body contribution is positive, increasing the pressure and the internal energy by about 10% in the liquid state.
引用
收藏
页码:3659 / 3669
页数:11
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