most citedComment on: Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 (J. Chem. Phys. 136, 174103 (2012))

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physics.chem-ph2015★ 14 cited

Comment on: Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 (J. Chem. Phys. 136, 174103 (2012))

Manoj Kumar Kesharwani, Sebastian Kozuch, Jan M. L. Martin

We have compared the performance of Grimme style DH/DSD and Zhang-Xu-Goddard type xDH/xDSD forms for double hybrids. In the DH and DSD forms, KS orbitals with elevated HF exchange…