Trial Function Optimization for Excited States of Van Der Waals Clusters
نویسندگان
چکیده
A method is introduced to optimize excited state trial wavefunctions. The method is applied to ground and vibrationally excited states of bosonic van der Waals clusters of upto seven particles. Employing optimized trial wave functions with three-body correlations, we use correlation function Monte Carlo to estimate the corresponding excited state energies.
منابع مشابه
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.
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تاریخ انتشار 2001