Читать книгу Computational Methods in Organometallic Catalysis - Yu Lan - Страница 25

The third rung in “Jacob's ladder” of density functionals is meta‐GGA functionals. The variables with more functionals than GGA are the kinetic energy density or the second derivative of the local spin density. The most common meta‐GGA involved are M06‐L, TPSS, and VSXC [45–47], which are often used in computational organometallic chemistry currently.