A Quantum Monte Carlo Approach to the Adiabatic Connection Method
Materials Science
2015-06-25 v1 Strongly Correlated Electrons
Abstract
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state many-body wavefunction for different values of the Coulomb coupling constant. We use the method to study an electron gas in the presence of a cosine-wave potential. For this system we present results for the exchange-correlation hole and exchange-correlation energy density, and compare our findings with those from the local density approximation and generalized gradient approximation.
Cite
@article{arxiv.cond-mat/9806074,
title = {A Quantum Monte Carlo Approach to the Adiabatic Connection Method},
author = {Maziar Nekovee and W. M. C. Foulkes and A. J. Williamson and G. Rajagopal and R. J. Needs},
journal= {arXiv preprint arXiv:cond-mat/9806074},
year = {2015}
}
Comments
to be published in Advances in Quantum Chemistry