Trial function optimization for excited states of van der Waals clusters
Chemical Physics
2007-05-23 v5 Atomic and Molecular Clusters
Abstract
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.
Keywords
Cite
@article{arxiv.physics/0102069,
title = {Trial function optimization for excited states of van der Waals clusters},
author = {M. P. Nightingale and Vilen Melik-Alaverdian},
journal= {arXiv preprint arXiv:physics/0102069},
year = {2007}
}
Comments
to be published in Recent Advances in Quantum Monte Carlo Methods - Part II, Series: Recent Advances in Computational Chemistry (Vol 2). edited by W. A. Lester, Jr., S. M. Rothstein, and S. Tanaka. World Scientific, Singapore (2001 or 2002)