Abstract
Repulsive three-body exchange energies are calculated for H3 and He3 using a new method based on an extension of the surface integral method to three-body interactions. The dependence of the three-body exchange energies on the internuclear distances between 5 and 10 a0 is investigated for equilateral configurations. The angular dependence is also studied for geometries in which two distances are fixed at equal distances. Very good agreement with other calculations at the same level of approximation is obtained for H3 as well as for He3. The relative importance of the different electron permutations in He3 is discussed.
Published Version
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