Trial function optimization for excited states of van der Waals clusters

Details Trial function optimization for excited states of van der Waals clusters Trial function optimization for excited states of van der Waals clusters

2001-02-21

arxiv.org/abs/physics/0102069v5

Physics

Chemical Physics

to be published in Recent Advances in Quantum Monte Carlo Methods - Part II, Series: Recent Advances in Computational Chemistr

Scientific paper

A method is introduced to optimize excited state trial wave functions. The
method is applied to ground and vibrationally excited states of bosonic van der
Waals clusters of upto seven particles. Employing optimized trial wavefunctions
with three-body correlations, we use correlation function Monte Carlo to
estimate the corresponding excited state energies.

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