U. Kleinekathofer et al., Three-body exchange energies in H-3 and He-3 calculated by the surface integral method, J CHEM PHYS, 113(3), 2000, pp. 948-956
Repulsive three-body exchange energies are calculated for H-3 and He-3 usin
g a new method based on an extension of the surface integral method to thre
e-body interactions. The dependence of the three-body exchange energies on
the internuclear distances between 5 and 10 a(0) is investigated for equila
teral configurations. The angular dependence is also studied for geometries
in which two distances are fixed at equal distances. Very good agreement w
ith other calculations at the same level of approximation is obtained for H
-3 as well as for He-3. The relative importance of the different electron p
ermutations in He-3 is discussed. (C) 2000 American Institute of Physics. [
S0021-9606(00)30118-0].