Examining Convergence of Cluster Perturbation Theory and Cluster Coupled Cluster for J1-J2 Heisenberg Spin Lattices

RESUMO

In previous work, it was shown that using the cluster mean field(cMF) wavefunction as the zeroth order wavefunction for perturbation theory and coupled cluster produces a reasonable approximation for the J 1-J 2 Heisenberg model in the thermodynamic limit(TDL). However, this work was limited to cPT4 and cCCSD. The central claim of cMF is that it takes strongly correlated systems and makes them weakly correlated so that PT weakly correlated methods can be used. To confirm that this claim is true, it is important to show that the PT and CC series converge. In this paper, we extend the previous calculations to cPT7 and cCCSDTQ5 where we show that the energy is converging. We also discuss how to perform cluster based calculations efficiently in the thermodynamic limit, which is crucial for these more expensive calculations.