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Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City 70000, Vietnam, Vietnam National University, Ho Chi Minh City 70000, Vietnam
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OBDH achieves unprecedented accuracy in electronic structure calculations without the computational burden of traditional double-hybrid methods.
Operator elimination in ADAPT-VQE can drastically accelerate convergence and reduce circuit complexity, achieving FCI-level accuracy more efficiently.
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.