Journal of Chemical Physics, Vol.110, No.18, 9000-9010, 1999
Comparative configurational study for He, Ne, and Ar trimers
Helium trimer bound states are calculated by means of a variational method described in terms of atom pair coordinates and distributed Gaussian basis functions for zero total angular momentum. To show the feasibility of this method, we also apply it to the calculation of the first vibrational levels of the Ar-3 and Ne-3 clusters. Special emphasis is made on the study of the possible Efimov behavior of the first excited state found in the He-4(3) trimer. Geometrical configurations of the ground and first excited states of these rare gas trimers have been exhaustively studied owing to the proper symmetry of the coordinates chosen.