Optimization of Ground- and Excited-State Wave Functions and van der Waals Clusters
- 9 July 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 87 (4) , 043401
- https://doi.org/10.1103/physrevlett.87.043401
Abstract
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.Keywords
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