most citedSelf-consistent double-hybrid density-functional theory using the optimized-effective-potential method

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physics.chem-ph2016★ 32 cited

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

Szymon Smiga, Odile Franck, Bastien Mussard +4

We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding t…