Minnesota density functionals available in Q-Chem
The following functionals developed at Minnesota are available in Q-Chem:
| Functional |
Availability
|
| MPW1B95 |
Version 3.1 and later |
| MPWB1K |
Version 3.1 and later |
| PW6B95 |
Version 3.1 and later |
| PWB6K |
Version 3.1 and later |
| M05 |
Version 3.1 and later |
| M05-2X |
Version 3.1 and later |
| M06-L |
Version 3.1 and later |
| M06 |
Version 3.1 and later |
| M06-2X |
Version 3.1 and later |
| M06-HF |
Version 3.1 and later |
Energies and analytic gradients are available for all above functionals in Q-Chem.
Minnesota Density Functionals
Q-Chem