Optimization of ground- and excited-state wave functions and van der Waals clusters.
A quantum Monte Carlo method is introduced to optimize excited-state trial wave functions. The method is applied in a correlation function Monte Carlo calculation to compute ground- and excited-state energies of bosonic van der Waals clusters of up to seven particles. The calculations are performed using trial wave functions with general three-body correlations.
Nightingale
M P
MP
Department of Physics, University of Rhode Island, Kingston, Rhode Island 02881, USA.
Melik-Alaverdian
V
V