Читать книгу Computational Methods in Organometallic Catalysis - Yu Lan - Страница 27

In the fifth rung of “Jacob's ladder,” the information of virtual orbital is used to build double‐hybrid functional. As examples, in this type, functionals B2PLYP and mPW2PLYP, Kohn–Sham unoccupied orbitals are used to calculate MP2‐type correlation functional [59, 60].