2020/07/22 by Mihm, Tina N, Yang, Bingdi, Shepherd, James J.
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
paper · doi:10.48550/arxiv.2007.11696
Recent calculations using coupled cluster on solids have raised discussion of using a N-1/3 power law to fit the correlation energy when extrapolating to the thermodynamic limit, an approach which differs from the more commonly used N-1 power law which is (for example) often used by quantum Monte Carlo methods. In this paper, we present one way to reconcile these viewpoints. Coupled cluster doubles calculations were performed on uniform electron gases reaching system sizes of 922 electrons for an extremely wide range of densities (0.1