no code implementations • 4 Mar 2021 • Ke Liao, Thomas Schraivogel, Hongjun Luo, Daniel Kats, Ali Alavi
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC approximations to strongly correlated regimes in the three dimensional uniform electron gas (3D UEG).
Strongly Correlated Electrons Chemical Physics Computational Physics