78 citations · 270 across the 6 of their papers we have counts for
3 papers · 1 filter
Projected Coupled Cluster Theory: Optimization of cluster amplitudes in the presence of symmetry projection
Yiheng Qiu, Thomas M. Henderson, Jinmo Zhao +1
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combina…
Tensor-Structured Coupled Cluster Theory
Roman Schutski, Jinmo Zhao, Thomas M. Henderson +1
We derive and implement a new way of solving coupled cluster equations with lower computational scaling. Our method is based on decomposition of both amplitudes and two electron in…
Projected Coupled Cluster Theory
Yiheng Qiu, Thomas M. Henderson, Jinmo Zhao +1
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails t…