Reaching High Accuracy for Energetic Properties at Second-Order Perturbation Cost by Merging Self-Consistency and Spin-Opposite Scaling
Nhan Tri Tran,
Hoang Thanh Nguyen,
Lan Nguyen Tran
Abstract:Quantum chemical methods dealing with challenging systems while retaining low computational costs have attracted attention. In particular, many efforts have been devoted to developing new methods based on second-order perturbation that may be the simplest correlated method beyond Hartree−Fock. We have recently developed a self-consistent perturbation theory named one-body Møller−Plesset secondorder perturbation theory (OBMP2) and shown that it can resolve issues caused by the noniterative nature of standard pe… Show more
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