Journal of Chemical Physics, Vol.105, No.15, 6498-6504, 1996
Van-der-Waals Clusters in the Ultraquantum Limit - A Monte-Carlo Study
Bosonic van der Waals clusters of sizes three, four, and five are studied by diffusion quantum Monte-Carlo techniques. In particular we study the unbinding transition, the ultraquantum limit where the ground state ceases to exist as a bound state. We discuss the quality of trial wave functions used in the calculations, the critical behavior in the vicinity of the unbinding transition, and simple improvements of the diffusion Monte Carlo algorithm.
Keywords:TRIAL WAVE-FUNCTIONS;SYSTEMS