The interaction potential of a symmetric helium trimer

Journal Article · Wed Jun 15 00:00:00 EDT 1994 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.467258· OSTI ID:6695607

Bhattacharya, A; Anderson, J B ^[1]

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1. Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

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 [minus]21.5[plus minus]1.9 K, compared to [minus]22.3[plus minus]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.

• OSTI ID: 6695607
• Journal Information: Journal of Chemical Physics; (United States), Vol. 100:12; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HELIUM
INTERATOMIC FORCES
MOLECULES
BORN-OPPENHEIMER APPROXIMATION
GREEN FUNCTION
MONTE CARLO METHOD
QUANTUM MECHANICS
CALCULATION METHODS
ELEMENTS
FLUIDS
FUNCTIONS
GASES
MECHANICS
NONMETALS
RARE GASES
664100* - Theory of Electronic Structure of Atoms & Molecules- (1992-)