most citedSelf-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method

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physics.chem-ph2019★ 23 cited

Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method

Szymon Smiga, Ireneusz Grabowski, Mateusz Witkowski +2

We extend the range-separated double-hybrid RSH+MP2 method [J. G. Angyan et al., Phys. Rev. A 72, 012510 (2005)], combining long-range HF exchange and MP2 correlation with a short-…