Minnesota density functionals available in GAMESS

May 9, 2019

The following functionals developed at Minnesota are available in GAMESS:
Functional Availability
M05 Version 21-April-2008 and later
M05-2X Version 21-April-2008 and later
M06-L Version 21-April-2008 and later
M06 Version 21-April-2008 and later
M06-2X Version 21-April-2008 and later
M06-HF Version 21-April-2008 and later
SOGGA 2010 R2 public release and later
M08-HX 2010 R2 public release and later
M08-SO 2010 R2 public release and later
MOHLYP 2010 R3 public release and later
MOHLYP2 2010 R3 public release and later
SOGGA11 2012 R1 public release and later.
SOGGA11-X 2012 R1 public release and later.
M11 2012 R1 public release and later.
M11-L 2012 R1 public release and later.
MN12-L GAMESS+DF and 2018 R2 public release and later.
MN12-SX 2018 R2 public release and later.
MN15-L GAMESS+DF and 2018 R2 public release and later.
MN15 GAMESS+DF and 2018 R2 public release and later.

Energies and analytic gradients are available for all the above functionals in GAMESS.

We are grateful to Sarom Sok, Mark Gordon, and Mike Schmidt for their efforts in adding the Minnesota functionals to GAMESS.


Minnesota Density Functionals

GAMESS
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