Kavli Affiliate: Thomas Crawford | First 5 Authors: Ruhee D’Cunha, T. Daniel Crawford, , , | Summary: We have investigated the efficacy of two recently proposed variations of the pair-natural-orbital approach to reducing the scaling of coupled cluster property calculations. In particular, we have extended our implementations of the PNO++ and combined PNO++ methods, which […]
Continue.. Applications of a perturbation-aware local correlation method to coupled cluster linear response properties