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Discover how a scaled spin-opposite perturbation theory can predict inverted singlet-triplet energy gaps with the accuracy of coupled-cluster methods, but at a fraction of the computational cost.
A new self-consistent perturbation theory (OBMP2) achieves state-of-the-art accuracy in predicting K-edge excitation energies, outperforming established methods like EOM-CCSD.
Solves the long-standing self-consistency problem in double-hybrid density functional theory by directly embedding perturbative correlation into the Kohn-Sham Hamiltonian.
