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



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