Minnesota Functionals in TURBOMOLE program

TURBOMOLE is a computational chemistry program that implements various quantum chemistry algrorithms such as Hartree-Fock theory, density functional theory, many-body perturbation theory, and coulpled-cluster theory.

The hybrid meta-GGA functional PW6B95 is available in TURBOMOLE 6.4 and above. Note that PW6B95 is undocumented in TURBOMOLE, but the keyword is pw6b95.

The hybrid meta-GGA functionals M06 and M06-2X are also available in TURBOMOLE. The local and hybrid meta-GGA functionals M05, M05-2X, M06-L, and M06-HF are also available in release 7.0.1 via the XCFun library.

For more information regarding use of TURBOMOLE, please refer to the TURBOMOLE Homepage

Back to Density Functionals from the Truhlar Group