THE INTERACTION POTENTIAL OF A SYMMETRICAL HELIUM TRIMER

被引:16
作者
BHATTACHARYA, A
ANDERSON, JB
机构
[1] Department of Chemistry, Pennsylvania State University, University Park
关键词
D O I
10.1063/1.467258
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
The interaction potential of three helium atoms in symmetric linear configurations is calculated under the Born-Oppenheimer approximation using an ''exact'' Green's function quantum Monte Carlo method. The results are compared with those of ''exact'' quantum Monte Carlo calculations for the helium dimer and the Axilrod-Teller triple-dipole energy expression. For nearest neighbor separations of 5.6 bohrs, the equilibrium distance for a helium dimer, the corresponding trimer energy is -21.5+/-1.9 K, compared to -22.3+/-0.2 K, calculated for pairwise additive behavior. For all internuclear separations in the neighborhood of the van der Waals well (similar to 5.6 bohrs), the nonadditive contribution is found to be very small.
引用
收藏
页码:8999 / 9001
页数:3
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